1-N,6-N-bis(4-dibenzofuran-4-yl-3-methylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine

C144H112N4O4 — CID 158203849

IUPAC1-N,6-N-bis(4-dibenzofuran-4-yl-3-methylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
SMILESCc1cc(N(c2c(C)cccc2C)c2ccc3ccc4c(N(c5ccc(-c6cccc7c6oc6ccccc67)c(C)c5)c5c(C)cccc5C)ccc5ccc2c3c54)ccc1-c1cccc2c1oc1ccccc12.Cc1cccc(C)c1N(c1ccc(-c2cccc3c2oc2ccccc23)cc1)c1cc(C(C)C)c2ccc3c(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4c(C)cccc4C)cc(C(C)C)c4ccc1c2c43
InChIInChI=1S/C74H60N2O2.C70H52N2O2/c1-43(2)63-41-65(75(71-45(5)17-13-18-46(71)6)51-33-29-49(30-34-51)53-23-15-25-59-55-21-9-11-27-67(55)77-73(53)59)61-40-38-58-64(44(3)4)42-66(62-39-37-57(63)69(61)70(58)62)76(72-47(7)19-14-20-48(72)8)52-35-31-50(32-36-52)54-24-16-26-60-56-22-10-12-28-68(56)78-74(54)60;1-41-15-11-16-42(2)67(41)71(49-31-35-51(45(5)39-49)55-21-13-23-57-53-19-7-9-25-63(53)73-69(55)57)61-37-29-47-28-34-60-62(38-30-48-27-33-59(61)65(47)66(48)60)72(68-43(3)17-12-18-44(68)4)50-32-36-52(46(6)40-50)56-22-14-24-58-54-20-8-10-26-64(54)74-70(56)58/h9-44H,1-8H3;7-40H,1-6H3
InChIKeyGBGIROZZRGNXDI-UHFFFAOYSA-N
MW1962.50 g/mol
LogP42.64
Rot. Bonds18

About 1-N,6-N-bis(4-dibenzofuran-4-yl-3-methylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine

1-N,6-N-bis(4-dibenzofuran-4-yl-3-methylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine (PubChem CID 158203849) has the molecular formula C144H112N4O4 and a molecular weight of 1962.50 g/mol. Its IUPAC name is 1-N,6-N-bis(4-dibenzofuran-4-yl-3-methylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis(4-dibenzofuran-4-yl-3-methylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
PubChem CID158203849
Molecular FormulaC144H112N4O4
Molecular Weight1962.50 g/mol
Exact Mass1960.87
IUPAC Name1-N,6-N-bis(4-dibenzofuran-4-yl-3-methylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
SMILESCc1cc(N(c2c(C)cccc2C)c2ccc3ccc4c(N(c5ccc(-c6cccc7c6oc6ccccc67)c(C)c5)c5c(C)cccc5C)ccc5ccc2c3c54)ccc1-c1cccc2c1oc1ccccc12.Cc1cccc(C)c1N(c1ccc(-c2cccc3c2oc2ccccc23)cc1)c1cc(C(C)C)c2ccc3c(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4c(C)cccc4C)cc(C(C)C)c4ccc1c2c43
InChIInChI=1S/C74H60N2O2.C70H52N2O2/c1-43(2)63-41-65(75(71-45(5)17-13-18-46(71)6)51-33-29-49(30-34-51)53-23-15-25-59-55-21-9-11-27-67(55)77-73(53)59)61-40-38-58-64(44(3)4)42-66(62-39-37-57(63)69(61)70(58)62)76(72-47(7)19-14-20-48(72)8)52-35-31-50(32-36-52)54-24-16-26-60-56-22-10-12-28-68(56)78-74(54)60;1-41-15-11-16-42(2)67(41)71(49-31-35-51(45(5)39-49)55-21-13-23-57-53-19-7-9-25-63(53)73-69(55)57)61-37-29-47-28-34-60-62(38-30-48-27-33-59(61)65(47)66(48)60)72(68-43(3)17-12-18-44(68)4)50-32-36-52(46(6)40-50)56-22-14-24-58-54-20-8-10-26-64(54)74-70(56)58/h9-44H,1-8H3;7-40H,1-6H3
InChIKeyGBGIROZZRGNXDI-UHFFFAOYSA-N
XLogP42.64
TPSA65.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001962.50
LogP ≤ 542.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-N,6-N-bis(4-dibenzofuran-4-yl-3-methylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine with MolForge

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Related Compounds

1-N,6-N-bis(3-dibenzofuran-4-ylphenyl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 58461954
1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 122663770
1-N,1-N,6-N,6-N-tetra(dibenzofuran-4-yl)-3-propan-2-ylpyrene-1,6-diamine
CID 87618177
1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(22,22-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaenyl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine
CID 158927265
1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis(3-methyldibenzofuran-4-yl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 153259447
1-N,6-N-bis(2-methylphenyl)-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 144583526
N-[4-[4-(4-dibenzofuran-4-yl-N-[2-methyl-6-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-methyl-6-(4-phenylphenyl)aniline
CID 121323023
1-N,3-N-bis(2-methyl-6-phenylphenyl)-1-N,3-N-diphenyl-6,8-di(propan-2-yl)pyrene-1,3-diamine
CID 129063005
4-[[6-(4-cyano-N-dibenzofuran-4-ylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-dibenzofuran-4-ylamino]benzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 159445590
N-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine
CID 157488442
1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 129062703
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[6-(3,6-diphenylcarbazol-9-yl)pyrazin-2-yl]-3,6-diphenylcarbazole;1-N,1-N,6-N,6-N-tetrakis(3,5-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 160713013

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(4-dibenzofuran-4-yl-3-methylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis(4-dibenzofuran-4-yl-3-methylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine (CID 158203849) is 1-N,6-N-bis(4-dibenzofuran-4-yl-3-methylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis(4-dibenzofuran-4-yl-3-methylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis(4-dibenzofuran-4-yl-3-methylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine is Cc1cc(N(c2c(C)cccc2C)c2ccc3ccc4c(N(c5ccc(-c6cccc7c6oc6ccccc67)c(C)c5)c5c(C)cccc5C)ccc5ccc2c3c54)ccc1-c1cccc2c1oc1ccccc12.Cc1cccc(C)c1N(c1ccc(-c2cccc3c2oc2ccccc23)cc1)c1cc(C(C)C)c2ccc3c(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4c(C)cccc4C)cc(C(C)C)c4ccc1c2c43.
What is the InChIKey of 1-N,6-N-bis(4-dibenzofuran-4-yl-3-methylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine?
The InChIKey is GBGIROZZRGNXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H60N2O2.C70H52N2O2/c1-43(2)63-41-65(75(71-45(5)17-13-18-46(71)6)51-33-29-49(30-34-51)53-23-15-25-59-55-21-9-11-27-67(55)77-73(53)59)61-40-38-58-64(44(3)4)42-66(62-39-37-57(63)69(61)70(58)62)76(72-47(7)19-14-20-48(72)8)52-35-31-50(32-36-52)54-24-16-26-60-56-22-10-12-28-68(56)78-74(54)60;1-41-15-11-16-42(2)67(41)71(49-31-35-51(45(5)39-49)55-21-13-23-57-53-19-7-9-25-63(53)73-69(55)57)61-37-29-47-28-34-60-62(38-30-48-27-33-59(61)65(47)66(48)60)72(68-43(3)17-12-18-44(68)4)50-32-36-52(46(6)40-50)56-22-14-24-58-54-20-8-10-26-64(54)74-70(56)58/h9-44H,1-8H3;7-40H,1-6H3.
What are the key properties of 1-N,6-N-bis(4-dibenzofuran-4-yl-3-methylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine?
1-N,6-N-bis(4-dibenzofuran-4-yl-3-methylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine has a molecular weight of 1962.50 g/mol, XLogP of 42.64, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis(4-dibenzofuran-4-yl-3-methylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine is sourced from PubChem (CID 158203849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).