1-N,8-N-bis(4-tert-butylphenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-bis(4-fluorophenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-di(dibenzofuran-4-yl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-phenylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-trimethylsilylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,1-N,8-N,8-N-tetraphenylbenzo[l]pyrene-1,8-diamine

C314H246F2N12O2Si2 — CID 158805177

IUPAC1-N,8-N-bis(4-tert-butylphenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-bis(4-fluorophenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-di(dibenzofuran-4-yl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-phenylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-trimethylsilylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,1-N,8-N,8-N-tetraphenylbenzo[l]pyrene-1,8-diamine
SMILESCc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c2c3ccccc3c3c(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc(C)c4ccc1c2c43.Cc1cc(N(c2ccccc2)c2ccc(C(C)(C)C)cc2)c2c3ccccc3c3c(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)cc(C)c4ccc1c2c43.Cc1cc(N(c2ccccc2)c2ccc(F)cc2)c2c3ccccc3c3c(N(c4ccccc4)c4ccc(F)cc4)cc(C)c4ccc1c2c43.Cc1cc(N(c2ccccc2)c2ccc([Si](C)(C)C)cc2)c2c3ccccc3c3c(N(c4ccccc4)c4ccc([Si](C)(C)C)cc4)cc(C)c4ccc1c2c43.Cc1cc(N(c2ccccc2)c2cccc3c2oc2ccccc23)c2c3ccccc3c3c(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc(C)c4ccc1c2c43.Cc1cc(N(c2ccccc2)c2ccccc2)c2c3ccccc3c3c(N(c4ccccc4)c4ccccc4)cc(C)c4ccc1c2c43
InChIInChI=1S/C58H38N2O2.C58H42N2.C54H50N2.C52H50N2Si2.C46H32F2N2.C46H34N2/c1-35-33-49(59(37-17-5-3-6-18-37)47-27-15-25-45-41-21-11-13-29-51(41)61-57(45)47)53-43-23-9-10-24-44(43)54-50(34-36(2)40-32-31-39(35)55(53)56(40)54)60(38-19-7-4-8-20-38)48-28-16-26-46-42-22-12-14-30-52(42)62-58(46)48;1-39-37-53(59(45-21-11-5-12-22-45)47-31-27-43(28-32-47)41-17-7-3-8-18-41)55-51-25-15-16-26-52(51)56-54(38-40(2)50-36-35-49(39)57(55)58(50)56)60(46-23-13-6-14-24-46)48-33-29-44(30-34-48)42-19-9-4-10-20-42;1-35-33-47(55(39-17-11-9-12-18-39)41-27-23-37(24-28-41)53(3,4)5)49-45-21-15-16-22-46(45)50-48(34-36(2)44-32-31-43(35)51(49)52(44)50)56(40-19-13-10-14-20-40)42-29-25-38(26-30-42)54(6,7)8;1-35-33-47(53(37-17-11-9-12-18-37)39-23-27-41(28-24-39)55(3,4)5)49-45-21-15-16-22-46(45)50-48(34-36(2)44-32-31-43(35)51(49)52(44)50)54(38-19-13-10-14-20-38)40-25-29-42(30-26-40)56(6,7)8;1-29-27-41(49(33-11-5-3-6-12-33)35-21-17-31(47)18-22-35)43-39-15-9-10-16-40(39)44-42(28-30(2)38-26-25-37(29)45(43)46(38)44)50(34-13-7-4-8-14-34)36-23-19-32(48)20-24-36;1-31-29-41(47(33-17-7-3-8-18-33)34-19-9-4-10-20-34)43-39-25-15-16-26-40(39)44-42(30-32(2)38-28-27-37(31)45(43)46(38)44)48(35-21-11-5-12-22-35)36-23-13-6-14-24-36/h3-34H,1-2H3;3-38H,1-2H3;2*9-34H,1-8H3;3-28H,1-2H3;3-30H,1-2H3
InChIKeyITZGAQZXZLROKO-UHFFFAOYSA-N
MW4313.67 g/mol
LogP90.86
Rot. Bonds40

About 1-N,8-N-bis(4-tert-butylphenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-bis(4-fluorophenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-di(dibenzofuran-4-yl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-phenylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-trimethylsilylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,1-N,8-N,8-N-tetraphenylbenzo[l]pyrene-1,8-diamine

1-N,8-N-bis(4-tert-butylphenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-bis(4-fluorophenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-di(dibenzofuran-4-yl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-phenylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-trimethylsilylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,1-N,8-N,8-N-tetraphenylbenzo[l]pyrene-1,8-diamine (PubChem CID 158805177) has the molecular formula C314H246F2N12O2Si2 and a molecular weight of 4313.67 g/mol. Its IUPAC name is 1-N,8-N-bis(4-tert-butylphenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-bis(4-fluorophenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-di(dibenzofuran-4-yl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-phenylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-trimethylsilylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,1-N,8-N,8-N-tetraphenylbenzo[l]pyrene-1,8-diamine.

Molecular Properties

Compound Name1-N,8-N-bis(4-tert-butylphenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-bis(4-fluorophenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-di(dibenzofuran-4-yl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-phenylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-trimethylsilylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,1-N,8-N,8-N-tetraphenylbenzo[l]pyrene-1,8-diamine
PubChem CID158805177
Molecular FormulaC314H246F2N12O2Si2
Molecular Weight4313.67 g/mol
Exact Mass4309.90
IUPAC Name1-N,8-N-bis(4-tert-butylphenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-bis(4-fluorophenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-di(dibenzofuran-4-yl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-phenylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-trimethylsilylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,1-N,8-N,8-N-tetraphenylbenzo[l]pyrene-1,8-diamine
SMILESCc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c2c3ccccc3c3c(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc(C)c4ccc1c2c43.Cc1cc(N(c2ccccc2)c2ccc(C(C)(C)C)cc2)c2c3ccccc3c3c(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)cc(C)c4ccc1c2c43.Cc1cc(N(c2ccccc2)c2ccc(F)cc2)c2c3ccccc3c3c(N(c4ccccc4)c4ccc(F)cc4)cc(C)c4ccc1c2c43.Cc1cc(N(c2ccccc2)c2ccc([Si](C)(C)C)cc2)c2c3ccccc3c3c(N(c4ccccc4)c4ccc([Si](C)(C)C)cc4)cc(C)c4ccc1c2c43.Cc1cc(N(c2ccccc2)c2cccc3c2oc2ccccc23)c2c3ccccc3c3c(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc(C)c4ccc1c2c43.Cc1cc(N(c2ccccc2)c2ccccc2)c2c3ccccc3c3c(N(c4ccccc4)c4ccccc4)cc(C)c4ccc1c2c43
InChIInChI=1S/C58H38N2O2.C58H42N2.C54H50N2.C52H50N2Si2.C46H32F2N2.C46H34N2/c1-35-33-49(59(37-17-5-3-6-18-37)47-27-15-25-45-41-21-11-13-29-51(41)61-57(45)47)53-43-23-9-10-24-44(43)54-50(34-36(2)40-32-31-39(35)55(53)56(40)54)60(38-19-7-4-8-20-38)48-28-16-26-46-42-22-12-14-30-52(42)62-58(46)48;1-39-37-53(59(45-21-11-5-12-22-45)47-31-27-43(28-32-47)41-17-7-3-8-18-41)55-51-25-15-16-26-52(51)56-54(38-40(2)50-36-35-49(39)57(55)58(50)56)60(46-23-13-6-14-24-46)48-33-29-44(30-34-48)42-19-9-4-10-20-42;1-35-33-47(55(39-17-11-9-12-18-39)41-27-23-37(24-28-41)53(3,4)5)49-45-21-15-16-22-46(45)50-48(34-36(2)44-32-31-43(35)51(49)52(44)50)56(40-19-13-10-14-20-40)42-29-25-38(26-30-42)54(6,7)8;1-35-33-47(53(37-17-11-9-12-18-37)39-23-27-41(28-24-39)55(3,4)5)49-45-21-15-16-22-46(45)50-48(34-36(2)44-32-31-43(35)51(49)52(44)50)54(38-19-13-10-14-20-38)40-25-29-42(30-26-40)56(6,7)8;1-29-27-41(49(33-11-5-3-6-12-33)35-21-17-31(47)18-22-35)43-39-15-9-10-16-40(39)44-42(28-30(2)38-26-25-37(29)45(43)46(38)44)50(34-13-7-4-8-14-34)36-23-19-32(48)20-24-36;1-31-29-41(47(33-17-7-3-8-18-33)34-19-9-4-10-20-34)43-39-25-15-16-26-40(39)44-42(30-32(2)38-28-27-37(31)45(43)46(38)44)48(35-21-11-5-12-22-35)36-23-13-6-14-24-36/h3-34H,1-2H3;3-38H,1-2H3;2*9-34H,1-8H3;3-28H,1-2H3;3-30H,1-2H3
InChIKeyITZGAQZXZLROKO-UHFFFAOYSA-N
XLogP90.86
TPSA65.16 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds40
Heavy Atoms332
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004313.67
LogP ≤ 590.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1-N,8-N-bis(4-tert-butylphenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-bis(4-fluorophenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-di(dibenzofuran-4-yl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-phenylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-trimethylsilylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,1-N,8-N,8-N-tetraphenylbenzo[l]pyrene-1,8-diamine with MolForge

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Related Compounds

3-N,8-N-di(dibenzofuran-4-yl)-1,6-dimethyl-3-N,8-N-diphenylbenzo[e]pyrene-3,8-diamine
CID 118581628
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(4-fluorophenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N-(4-methylphenyl)-18-N-(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
CID 159109938
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-fluorophenyl)-3,8-diphenylpyrene-1,6-diamine
CID 161326103
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
8-N,18-N-bis(4-tert-butylphenyl)-8-N,18-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-8,18-diamine
CID 146666166
6-N-dibenzofuran-4-yl-3,8-dimethyl-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine
CID 144918659
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
N-[17-(4-tert-butylphenyl)-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl]-N-phenyldibenzofuran-4-amine
CID 166032684
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744
N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-4-amine
CID 159714421
1-N,6-N-di(dibenzofuran-4-yl)-3,8-difluoro-1-N,6-N-diphenylbenzo[e]pyrene-1,6-diamine
CID 118581718
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788

Frequently Asked Questions

What is the IUPAC name of 1-N,8-N-bis(4-tert-butylphenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-bis(4-fluorophenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-di(dibenzofuran-4-yl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-phenylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-trimethylsilylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,1-N,8-N,8-N-tetraphenylbenzo[l]pyrene-1,8-diamine?
The IUPAC name of 1-N,8-N-bis(4-tert-butylphenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-bis(4-fluorophenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-di(dibenzofuran-4-yl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-phenylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-trimethylsilylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,1-N,8-N,8-N-tetraphenylbenzo[l]pyrene-1,8-diamine (CID 158805177) is 1-N,8-N-bis(4-tert-butylphenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-bis(4-fluorophenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-di(dibenzofuran-4-yl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-phenylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-trimethylsilylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,1-N,8-N,8-N-tetraphenylbenzo[l]pyrene-1,8-diamine.
What is the SMILES notation for 1-N,8-N-bis(4-tert-butylphenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-bis(4-fluorophenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-di(dibenzofuran-4-yl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-phenylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-trimethylsilylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,1-N,8-N,8-N-tetraphenylbenzo[l]pyrene-1,8-diamine?
The canonical SMILES for 1-N,8-N-bis(4-tert-butylphenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-bis(4-fluorophenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-di(dibenzofuran-4-yl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-phenylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-trimethylsilylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,1-N,8-N,8-N-tetraphenylbenzo[l]pyrene-1,8-diamine is Cc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c2c3ccccc3c3c(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc(C)c4ccc1c2c43.Cc1cc(N(c2ccccc2)c2ccc(C(C)(C)C)cc2)c2c3ccccc3c3c(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)cc(C)c4ccc1c2c43.Cc1cc(N(c2ccccc2)c2ccc(F)cc2)c2c3ccccc3c3c(N(c4ccccc4)c4ccc(F)cc4)cc(C)c4ccc1c2c43.Cc1cc(N(c2ccccc2)c2ccc([Si](C)(C)C)cc2)c2c3ccccc3c3c(N(c4ccccc4)c4ccc([Si](C)(C)C)cc4)cc(C)c4ccc1c2c43.Cc1cc(N(c2ccccc2)c2cccc3c2oc2ccccc23)c2c3ccccc3c3c(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc(C)c4ccc1c2c43.Cc1cc(N(c2ccccc2)c2ccccc2)c2c3ccccc3c3c(N(c4ccccc4)c4ccccc4)cc(C)c4ccc1c2c43.
What is the InChIKey of 1-N,8-N-bis(4-tert-butylphenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-bis(4-fluorophenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-di(dibenzofuran-4-yl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-phenylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-trimethylsilylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,1-N,8-N,8-N-tetraphenylbenzo[l]pyrene-1,8-diamine?
The InChIKey is ITZGAQZXZLROKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O2.C58H42N2.C54H50N2.C52H50N2Si2.C46H32F2N2.C46H34N2/c1-35-33-49(59(37-17-5-3-6-18-37)47-27-15-25-45-41-21-11-13-29-51(41)61-57(45)47)53-43-23-9-10-24-44(43)54-50(34-36(2)40-32-31-39(35)55(53)56(40)54)60(38-19-7-4-8-20-38)48-28-16-26-46-42-22-12-14-30-52(42)62-58(46)48;1-39-37-53(59(45-21-11-5-12-22-45)47-31-27-43(28-32-47)41-17-7-3-8-18-41)55-51-25-15-16-26-52(51)56-54(38-40(2)50-36-35-49(39)57(55)58(50)56)60(46-23-13-6-14-24-46)48-33-29-44(30-34-48)42-19-9-4-10-20-42;1-35-33-47(55(39-17-11-9-12-18-39)41-27-23-37(24-28-41)53(3,4)5)49-45-21-15-16-22-46(45)50-48(34-36(2)44-32-31-43(35)51(49)52(44)50)56(40-19-13-10-14-20-40)42-29-25-38(26-30-42)54(6,7)8;1-35-33-47(53(37-17-11-9-12-18-37)39-23-27-41(28-24-39)55(3,4)5)49-45-21-15-16-22-46(45)50-48(34-36(2)44-32-31-43(35)51(49)52(44)50)54(38-19-13-10-14-20-38)40-25-29-42(30-26-40)56(6,7)8;1-29-27-41(49(33-11-5-3-6-12-33)35-21-17-31(47)18-22-35)43-39-15-9-10-16-40(39)44-42(28-30(2)38-26-25-37(29)45(43)46(38)44)50(34-13-7-4-8-14-34)36-23-19-32(48)20-24-36;1-31-29-41(47(33-17-7-3-8-18-33)34-19-9-4-10-20-34)43-39-25-15-16-26-40(39)44-42(30-32(2)38-28-27-37(31)45(43)46(38)44)48(35-21-11-5-12-22-35)36-23-13-6-14-24-36/h3-34H,1-2H3;3-38H,1-2H3;2*9-34H,1-8H3;3-28H,1-2H3;3-30H,1-2H3.
What are the key properties of 1-N,8-N-bis(4-tert-butylphenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-bis(4-fluorophenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-di(dibenzofuran-4-yl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-phenylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-trimethylsilylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,1-N,8-N,8-N-tetraphenylbenzo[l]pyrene-1,8-diamine?
1-N,8-N-bis(4-tert-butylphenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-bis(4-fluorophenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-di(dibenzofuran-4-yl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-phenylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-trimethylsilylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,1-N,8-N,8-N-tetraphenylbenzo[l]pyrene-1,8-diamine has a molecular weight of 4313.67 g/mol, XLogP of 90.86, 40 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,8-N-bis(4-tert-butylphenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-bis(4-fluorophenyl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;1-N,8-N-di(dibenzofuran-4-yl)-3,6-dimethyl-1-N,8-N-diphenylbenzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-phenylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,8-N-diphenyl-1-N,8-N-bis(4-trimethylsilylphenyl)benzo[l]pyrene-1,8-diamine;3,6-dimethyl-1-N,1-N,8-N,8-N-tetraphenylbenzo[l]pyrene-1,8-diamine is sourced from PubChem (CID 158805177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).