1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N,3,8-tetraphenyl-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine

C226H164N8O4S2 — CID 159572970

IUPAC1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N,3,8-tetraphenyl-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine
SMILESCC(C)c1cc(N(c2ccccc2)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)C)cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)c4ccc1c2c34.CC(C)c1ccc(N(c2ccccc2)c2cc(-c3ccccc3)c3ccc4c(N(c5ccccc5)c5ccc(C(C)C)cc5)cc(-c5ccccc5)c5ccc2c3c54)cc1.Cc1ccc2oc3ccc(N(c4ccccc4)c4cc5c6cccc(N(c7ccccc7)c7ccc8oc9ccc(C)cc9c8c7)c6ccc5c5ccccc45)cc3c2c1.c1ccc(N(c2ccc3sc4ccccc4c3c2)c2cc3c4cccc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)c4ccc3c3ccccc23)cc1
InChIInChI=1S/C58H44N2O2.C58H48N2.C56H38N2O2.C54H34N2S2/c1-35(2)47-33-51(59(37-17-7-5-8-18-37)49-25-15-23-43-39-21-11-13-27-53(39)61-57(43)49)45-32-30-42-48(36(3)4)34-52(46-31-29-41(47)55(45)56(42)46)60(38-19-9-6-10-20-38)50-26-16-24-44-40-22-12-14-28-54(40)62-58(44)50;1-39(2)41-25-29-47(30-26-41)59(45-21-13-7-14-22-45)55-37-53(43-17-9-5-10-18-43)49-34-36-52-56(60(46-23-15-8-16-24-46)48-31-27-42(28-32-48)40(3)4)38-54(44-19-11-6-12-20-44)50-33-35-51(55)57(49)58(50)52;1-35-20-26-53-47(30-35)49-32-39(22-28-55(49)59-53)57(37-12-5-3-6-13-37)51-19-11-18-42-45(51)25-24-43-41-16-9-10-17-44(41)52(34-46(42)43)58(38-14-7-4-8-15-38)40-23-29-56-50(33-40)48-31-36(2)21-27-54(48)60-56;1-3-14-35(15-4-1)55(37-26-30-53-47(32-37)44-20-9-11-24-51(44)57-53)49-23-13-22-40-43(49)29-28-41-39-18-7-8-19-42(39)50(34-46(40)41)56(36-16-5-2-6-17-36)38-27-31-54-48(33-38)45-21-10-12-25-52(45)58-54/h5-36H,1-4H3;5-40H,1-4H3;3-34H,1-2H3;1-34H
InChIKeyMIBAAHJOLALWBO-UHFFFAOYSA-N
MW3119.98 g/mol
LogP68.00
Rot. Bonds30

About 1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N,3,8-tetraphenyl-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine

1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N,3,8-tetraphenyl-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine (PubChem CID 159572970) has the molecular formula C226H164N8O4S2 and a molecular weight of 3119.98 g/mol. Its IUPAC name is 1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N,3,8-tetraphenyl-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N,3,8-tetraphenyl-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine
PubChem CID159572970
Molecular FormulaC226H164N8O4S2
Molecular Weight3119.98 g/mol
Exact Mass3117.23
IUPAC Name1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N,3,8-tetraphenyl-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine
SMILESCC(C)c1cc(N(c2ccccc2)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)C)cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)c4ccc1c2c34.CC(C)c1ccc(N(c2ccccc2)c2cc(-c3ccccc3)c3ccc4c(N(c5ccccc5)c5ccc(C(C)C)cc5)cc(-c5ccccc5)c5ccc2c3c54)cc1.Cc1ccc2oc3ccc(N(c4ccccc4)c4cc5c6cccc(N(c7ccccc7)c7ccc8oc9ccc(C)cc9c8c7)c6ccc5c5ccccc45)cc3c2c1.c1ccc(N(c2ccc3sc4ccccc4c3c2)c2cc3c4cccc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)c4ccc3c3ccccc23)cc1
InChIInChI=1S/C58H44N2O2.C58H48N2.C56H38N2O2.C54H34N2S2/c1-35(2)47-33-51(59(37-17-7-5-8-18-37)49-25-15-23-43-39-21-11-13-27-53(39)61-57(43)49)45-32-30-42-48(36(3)4)34-52(46-31-29-41(47)55(45)56(42)46)60(38-19-9-6-10-20-38)50-26-16-24-44-40-22-12-14-28-54(40)62-58(44)50;1-39(2)41-25-29-47(30-26-41)59(45-21-13-7-14-22-45)55-37-53(43-17-9-5-10-18-43)49-34-36-52-56(60(46-23-15-8-16-24-46)48-31-27-42(28-32-48)40(3)4)38-54(44-19-11-6-12-20-44)50-33-35-51(55)57(49)58(50)52;1-35-20-26-53-47(30-35)49-32-39(22-28-55(49)59-53)57(37-12-5-3-6-13-37)51-19-11-18-42-45(51)25-24-43-41-16-9-10-17-44(41)52(34-46(42)43)58(38-14-7-4-8-15-38)40-23-29-56-50(33-40)48-31-36(2)21-27-54(48)60-56;1-3-14-35(15-4-1)55(37-26-30-53-47(32-37)44-20-9-11-24-51(44)57-53)49-23-13-22-40-43(49)29-28-41-39-18-7-8-19-42(39)50(34-46(40)41)56(36-16-5-2-6-17-36)38-27-31-54-48(33-38)45-21-10-12-25-52(45)58-54/h5-36H,1-4H3;5-40H,1-4H3;3-34H,1-2H3;1-34H
InChIKeyMIBAAHJOLALWBO-UHFFFAOYSA-N
XLogP68.00
TPSA78.48 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds30
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003119.98
LogP ≤ 568.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N,3,8-tetraphenyl-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N,12-N-bis(8-methyldibenzofuran-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;6-N,12-N-di(dibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine
CID 165094367
6-N,12-N-bis(8-methyldibenzofuran-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(8-methyldibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine
CID 161152265
N-dibenzothiophen-2-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 163977940
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 162003891
N-(4-propan-2-ylphenyl)-N-(13-thiaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-10-yl)dibenzofuran-4-amine
CID 154600454
4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzothiophen-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
CID 160645618
1-N,6-N-di(dibenzofuran-4-yl)-4,9-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine
CID 118929937
5-N,11-N-di(dibenzofuran-4-yl)-5-N,11-N-bis(3-methylphenyl)tetracene-5,11-diamine;5-N,11-N-di(dibenzofuran-4-yl)-5-N,11-N-bis(3-propan-2-ylphenyl)tetracene-5,11-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-bis(3-propan-2-ylphenyl)tetracene-5,12-diamine;5-N,11-N-di(dibenzofuran-4-yl)-5-N,11-N-diphenyltetracene-5,11-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 160998766
1-N,6-N-di(dibenzofuran-4-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis[3-[3-tris(4-methylphenyl)silylphenyl]phenyl]pyrene-1,6-diamine
CID 155620055
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
5-N-dibenzofuran-3-yl-18-N-dibenzofuran-4-yl-5-N,18-N-bis(2-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N-dibenzofuran-3-yl-18-N-dibenzofuran-4-yl-5-N-phenyl-18-N-(2-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;18-N-dibenzofuran-4-yl-5-N-dibenzothiophen-2-yl-5-N,18-N-bis(2-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 158660183
6-N,12-N-di(dibenzofuran-2-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine
CID 88598763

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N,3,8-tetraphenyl-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N,3,8-tetraphenyl-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine (CID 159572970) is 1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N,3,8-tetraphenyl-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N,3,8-tetraphenyl-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N,3,8-tetraphenyl-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine is CC(C)c1cc(N(c2ccccc2)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)C)cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)c4ccc1c2c34.CC(C)c1ccc(N(c2ccccc2)c2cc(-c3ccccc3)c3ccc4c(N(c5ccccc5)c5ccc(C(C)C)cc5)cc(-c5ccccc5)c5ccc2c3c54)cc1.Cc1ccc2oc3ccc(N(c4ccccc4)c4cc5c6cccc(N(c7ccccc7)c7ccc8oc9ccc(C)cc9c8c7)c6ccc5c5ccccc45)cc3c2c1.c1ccc(N(c2ccc3sc4ccccc4c3c2)c2cc3c4cccc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)c4ccc3c3ccccc23)cc1.
What is the InChIKey of 1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N,3,8-tetraphenyl-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine?
The InChIKey is MIBAAHJOLALWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2O2.C58H48N2.C56H38N2O2.C54H34N2S2/c1-35(2)47-33-51(59(37-17-7-5-8-18-37)49-25-15-23-43-39-21-11-13-27-53(39)61-57(43)49)45-32-30-42-48(36(3)4)34-52(46-31-29-41(47)55(45)56(42)46)60(38-19-9-6-10-20-38)50-26-16-24-44-40-22-12-14-28-54(40)62-58(44)50;1-39(2)41-25-29-47(30-26-41)59(45-21-13-7-14-22-45)55-37-53(43-17-9-5-10-18-43)49-34-36-52-56(60(46-23-15-8-16-24-46)48-31-27-42(28-32-48)40(3)4)38-54(44-19-11-6-12-20-44)50-33-35-51(55)57(49)58(50)52;1-35-20-26-53-47(30-35)49-32-39(22-28-55(49)59-53)57(37-12-5-3-6-13-37)51-19-11-18-42-45(51)25-24-43-41-16-9-10-17-44(41)52(34-46(42)43)58(38-14-7-4-8-15-38)40-23-29-56-50(33-40)48-31-36(2)21-27-54(48)60-56;1-3-14-35(15-4-1)55(37-26-30-53-47(32-37)44-20-9-11-24-51(44)57-53)49-23-13-22-40-43(49)29-28-41-39-18-7-8-19-42(39)50(34-46(40)41)56(36-16-5-2-6-17-36)38-27-31-54-48(33-38)45-21-10-12-25-52(45)58-54/h5-36H,1-4H3;5-40H,1-4H3;3-34H,1-2H3;1-34H.
What are the key properties of 1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N,3,8-tetraphenyl-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine?
1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N,3,8-tetraphenyl-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine has a molecular weight of 3119.98 g/mol, XLogP of 68.00, 30 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N,3,8-tetraphenyl-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 159572970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).