4-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-4-N,10-N-bis(2-methylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2,5-dimethylphenyl)-4-N,10-N-bis(2-methyl-5-phenylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2-methylphenyl)-4-N,10-N-diphenylpyrene-4,10-diamine;7-tert-butyl-4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine

C214H184N8O2 — CID 163610444

IUPAC4-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-4-N,10-N-bis(2-methylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2,5-dimethylphenyl)-4-N,10-N-bis(2-methyl-5-phenylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2-methylphenyl)-4-N,10-N-diphenylpyrene-4,10-diamine;7-tert-butyl-4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine
SMILESCC(C)(C)c1cc2cc(N(c3ccccc3)c3ccccc3)c3cccc4c(N(c5ccccc5)c5ccccc5)cc(c1)c2c34.Cc1ccc(C)c(N(c2cc(-c3ccccc3)ccc2C)c2cc3cc(C(C)(C)C)cc4cc(N(c5cc(C)ccc5C)c5cc(-c6ccccc6)ccc5C)c5cccc2c5c34)c1.Cc1ccccc1N(c1cc2cccc3cc(N(c4ccccc4C)c4cccc5c4oc4c(C(C)(C)C)cccc45)c4cccc1c4c23)c1cccc2c1oc1c(C(C)(C)C)cccc12.Cc1ccccc1N(c1ccccc1)c1cc2cc(C(C)(C)C)cc3cc(N(c4ccccc4)c4ccccc4C)c4cccc1c4c23
InChIInChI=1S/C62H52N2O2.C62H56N2.C46H40N2.C44H36N2/c1-37-19-9-11-31-49(37)63(51-33-17-25-43-41-23-15-29-47(61(3,4)5)57(41)65-59(43)51)53-35-39-21-13-22-40-36-54(46-28-14-27-45(53)56(46)55(39)40)64(50-32-12-10-20-38(50)2)52-34-18-26-44-42-24-16-30-48(62(6,7)8)58(42)66-60(44)52;1-39-23-25-41(3)54(31-39)63(56-35-47(29-27-43(56)5)45-17-12-10-13-18-45)58-37-49-33-51(62(7,8)9)34-50-38-59(53-22-16-21-52(58)61(53)60(49)50)64(55-32-40(2)24-26-42(55)4)57-36-48(30-28-44(57)6)46-19-14-11-15-20-46;1-31-17-12-14-25-40(31)47(36-19-8-6-9-20-36)42-29-33-27-35(46(3,4)5)28-34-30-43(39-24-16-23-38(42)45(39)44(33)34)48(37-21-10-7-11-22-37)41-26-15-13-18-32(41)2;1-44(2,3)33-27-31-29-40(45(34-17-8-4-9-18-34)35-19-10-5-11-20-35)38-25-16-26-39-41(30-32(28-33)42(31)43(38)39)46(36-21-12-6-13-22-36)37-23-14-7-15-24-37/h9-36H,1-8H3;10-38H,1-9H3;6-30H,1-5H3;4-30H,1-3H3
InChIKeyHFLJBMQXAXNOSO-UHFFFAOYSA-N
MW2899.88 g/mol
LogP62.80
Rot. Bonds26

About 4-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-4-N,10-N-bis(2-methylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2,5-dimethylphenyl)-4-N,10-N-bis(2-methyl-5-phenylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2-methylphenyl)-4-N,10-N-diphenylpyrene-4,10-diamine;7-tert-butyl-4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine

4-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-4-N,10-N-bis(2-methylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2,5-dimethylphenyl)-4-N,10-N-bis(2-methyl-5-phenylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2-methylphenyl)-4-N,10-N-diphenylpyrene-4,10-diamine;7-tert-butyl-4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine (PubChem CID 163610444) has the molecular formula C214H184N8O2 and a molecular weight of 2899.88 g/mol. Its IUPAC name is 4-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-4-N,10-N-bis(2-methylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2,5-dimethylphenyl)-4-N,10-N-bis(2-methyl-5-phenylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2-methylphenyl)-4-N,10-N-diphenylpyrene-4,10-diamine;7-tert-butyl-4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine.

Molecular Properties

Compound Name4-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-4-N,10-N-bis(2-methylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2,5-dimethylphenyl)-4-N,10-N-bis(2-methyl-5-phenylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2-methylphenyl)-4-N,10-N-diphenylpyrene-4,10-diamine;7-tert-butyl-4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine
PubChem CID163610444
Molecular FormulaC214H184N8O2
Molecular Weight2899.88 g/mol
Exact Mass2897.45
IUPAC Name4-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-4-N,10-N-bis(2-methylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2,5-dimethylphenyl)-4-N,10-N-bis(2-methyl-5-phenylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2-methylphenyl)-4-N,10-N-diphenylpyrene-4,10-diamine;7-tert-butyl-4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine
SMILESCC(C)(C)c1cc2cc(N(c3ccccc3)c3ccccc3)c3cccc4c(N(c5ccccc5)c5ccccc5)cc(c1)c2c34.Cc1ccc(C)c(N(c2cc(-c3ccccc3)ccc2C)c2cc3cc(C(C)(C)C)cc4cc(N(c5cc(C)ccc5C)c5cc(-c6ccccc6)ccc5C)c5cccc2c5c34)c1.Cc1ccccc1N(c1cc2cccc3cc(N(c4ccccc4C)c4cccc5c4oc4c(C(C)(C)C)cccc45)c4cccc1c4c23)c1cccc2c1oc1c(C(C)(C)C)cccc12.Cc1ccccc1N(c1ccccc1)c1cc2cc(C(C)(C)C)cc3cc(N(c4ccccc4)c4ccccc4C)c4cccc1c4c23
InChIInChI=1S/C62H52N2O2.C62H56N2.C46H40N2.C44H36N2/c1-37-19-9-11-31-49(37)63(51-33-17-25-43-41-23-15-29-47(61(3,4)5)57(41)65-59(43)51)53-35-39-21-13-22-40-36-54(46-28-14-27-45(53)56(46)55(39)40)64(50-32-12-10-20-38(50)2)52-34-18-26-44-42-24-16-30-48(62(6,7)8)58(42)66-60(44)52;1-39-23-25-41(3)54(31-39)63(56-35-47(29-27-43(56)5)45-17-12-10-13-18-45)58-37-49-33-51(62(7,8)9)34-50-38-59(53-22-16-21-52(58)61(53)60(49)50)64(55-32-40(2)24-26-42(55)4)57-36-48(30-28-44(57)6)46-19-14-11-15-20-46;1-31-17-12-14-25-40(31)47(36-19-8-6-9-20-36)42-29-33-27-35(46(3,4)5)28-34-30-43(39-24-16-23-38(42)45(39)44(33)34)48(37-21-10-7-11-22-37)41-26-15-13-18-32(41)2;1-44(2,3)33-27-31-29-40(45(34-17-8-4-9-18-34)35-19-10-5-11-20-35)38-25-16-26-39-41(30-32(28-33)42(31)43(38)39)46(36-21-12-6-13-22-36)37-23-14-7-15-24-37/h9-36H,1-8H3;10-38H,1-9H3;6-30H,1-5H3;4-30H,1-3H3
InChIKeyHFLJBMQXAXNOSO-UHFFFAOYSA-N
XLogP62.80
TPSA52.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds26
Heavy Atoms224
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002899.88
LogP ≤ 562.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-4-N,10-N-bis(2-methylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2,5-dimethylphenyl)-4-N,10-N-bis(2-methyl-5-phenylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2-methylphenyl)-4-N,10-N-diphenylpyrene-4,10-diamine;7-tert-butyl-4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine with MolForge

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Related Compounds

7-tert-butyl-1-N,3-N-bis(2,5-dimethylphenyl)-1-N,3-N-bis(2-methyl-5-phenylphenyl)pyrene-1,3-diamine;7-tert-butyl-1-N,3-N-bis(2-methylphenyl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,1-N,3-N,3-N-tetrakis(2-methyl-5-phenylphenyl)pyrene-1,3-diamine
CID 160798873
1-N,3-N-bis(6-tert-butyldibenzofuran-4-yl)-7-[4-(N-[7-tert-butyl-3-(N-phenylanilino)pyren-1-yl]anilino)phenyl]-1-N,3-N-bis(2-methylphenyl)pyrene-1,3-diamine
CID 148755949
7-tert-butyl-1-N,3-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,3-N-diphenylpyrene-1,3-diamine
CID 122578935
6-N,17-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N,17-N-bis(2-methyl-5-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166032140
1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-bis(2,5-dimethylphenyl)-3,8-bis(3,5-dimethylphenyl)pyrene-1,6-diamine
CID 171449199
1-N,6-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;6-N-dibenzofuran-4-yl-1-N-(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 161114249
7-tert-butyl-1-N,3-N-bis(2-methyl-5-phenylphenyl)-1-N,3-N-bis[2-(trifluoromethyl)phenyl]pyrene-1,3-diamine
CID 129074075
7-tert-butyl-1-N,3-N-bis(2-tert-butyl-5-phenylphenyl)-1-N,3-N-bis(2-methyl-5-phenylphenyl)pyrene-1,3-diamine
CID 129062943
9-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,20-N-bis(3-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(3-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,4-N,20-N,20-N-tetrakis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,4-N,20-N,20-N-tetraphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;9-N,9-N,20-N,20-N-tetraphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine
CID 165041886
7-tert-butyl-1-N,3-N-diphenyl-1-N,3-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,3-diamine
CID 122578933
9-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,20-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-bis(6-phenyldibenzofuran-4-yl)-9-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine
CID 162223623
5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(2-methylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-phenyldibenzofuran-4-yl)-5-N,10-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine
CID 159471492

Frequently Asked Questions

What is the IUPAC name of 4-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-4-N,10-N-bis(2-methylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2,5-dimethylphenyl)-4-N,10-N-bis(2-methyl-5-phenylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2-methylphenyl)-4-N,10-N-diphenylpyrene-4,10-diamine;7-tert-butyl-4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine?
The IUPAC name of 4-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-4-N,10-N-bis(2-methylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2,5-dimethylphenyl)-4-N,10-N-bis(2-methyl-5-phenylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2-methylphenyl)-4-N,10-N-diphenylpyrene-4,10-diamine;7-tert-butyl-4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine (CID 163610444) is 4-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-4-N,10-N-bis(2-methylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2,5-dimethylphenyl)-4-N,10-N-bis(2-methyl-5-phenylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2-methylphenyl)-4-N,10-N-diphenylpyrene-4,10-diamine;7-tert-butyl-4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine.
What is the SMILES notation for 4-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-4-N,10-N-bis(2-methylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2,5-dimethylphenyl)-4-N,10-N-bis(2-methyl-5-phenylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2-methylphenyl)-4-N,10-N-diphenylpyrene-4,10-diamine;7-tert-butyl-4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine?
The canonical SMILES for 4-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-4-N,10-N-bis(2-methylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2,5-dimethylphenyl)-4-N,10-N-bis(2-methyl-5-phenylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2-methylphenyl)-4-N,10-N-diphenylpyrene-4,10-diamine;7-tert-butyl-4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine is CC(C)(C)c1cc2cc(N(c3ccccc3)c3ccccc3)c3cccc4c(N(c5ccccc5)c5ccccc5)cc(c1)c2c34.Cc1ccc(C)c(N(c2cc(-c3ccccc3)ccc2C)c2cc3cc(C(C)(C)C)cc4cc(N(c5cc(C)ccc5C)c5cc(-c6ccccc6)ccc5C)c5cccc2c5c34)c1.Cc1ccccc1N(c1cc2cccc3cc(N(c4ccccc4C)c4cccc5c4oc4c(C(C)(C)C)cccc45)c4cccc1c4c23)c1cccc2c1oc1c(C(C)(C)C)cccc12.Cc1ccccc1N(c1ccccc1)c1cc2cc(C(C)(C)C)cc3cc(N(c4ccccc4)c4ccccc4C)c4cccc1c4c23.
What is the InChIKey of 4-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-4-N,10-N-bis(2-methylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2,5-dimethylphenyl)-4-N,10-N-bis(2-methyl-5-phenylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2-methylphenyl)-4-N,10-N-diphenylpyrene-4,10-diamine;7-tert-butyl-4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine?
The InChIKey is HFLJBMQXAXNOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H52N2O2.C62H56N2.C46H40N2.C44H36N2/c1-37-19-9-11-31-49(37)63(51-33-17-25-43-41-23-15-29-47(61(3,4)5)57(41)65-59(43)51)53-35-39-21-13-22-40-36-54(46-28-14-27-45(53)56(46)55(39)40)64(50-32-12-10-20-38(50)2)52-34-18-26-44-42-24-16-30-48(62(6,7)8)58(42)66-60(44)52;1-39-23-25-41(3)54(31-39)63(56-35-47(29-27-43(56)5)45-17-12-10-13-18-45)58-37-49-33-51(62(7,8)9)34-50-38-59(53-22-16-21-52(58)61(53)60(49)50)64(55-32-40(2)24-26-42(55)4)57-36-48(30-28-44(57)6)46-19-14-11-15-20-46;1-31-17-12-14-25-40(31)47(36-19-8-6-9-20-36)42-29-33-27-35(46(3,4)5)28-34-30-43(39-24-16-23-38(42)45(39)44(33)34)48(37-21-10-7-11-22-37)41-26-15-13-18-32(41)2;1-44(2,3)33-27-31-29-40(45(34-17-8-4-9-18-34)35-19-10-5-11-20-35)38-25-16-26-39-41(30-32(28-33)42(31)43(38)39)46(36-21-12-6-13-22-36)37-23-14-7-15-24-37/h9-36H,1-8H3;10-38H,1-9H3;6-30H,1-5H3;4-30H,1-3H3.
What are the key properties of 4-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-4-N,10-N-bis(2-methylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2,5-dimethylphenyl)-4-N,10-N-bis(2-methyl-5-phenylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2-methylphenyl)-4-N,10-N-diphenylpyrene-4,10-diamine;7-tert-butyl-4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine?
4-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-4-N,10-N-bis(2-methylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2,5-dimethylphenyl)-4-N,10-N-bis(2-methyl-5-phenylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2-methylphenyl)-4-N,10-N-diphenylpyrene-4,10-diamine;7-tert-butyl-4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine has a molecular weight of 2899.88 g/mol, XLogP of 62.80, 26 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-4-N,10-N-bis(2-methylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2,5-dimethylphenyl)-4-N,10-N-bis(2-methyl-5-phenylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2-methylphenyl)-4-N,10-N-diphenylpyrene-4,10-diamine;7-tert-butyl-4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine is sourced from PubChem (CID 163610444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).