9,10-dicyclohexyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-2-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine;2-N-isoquinolin-1-yl-2-N,7-N,7-N-tri(isoquinolin-3-yl)-9,10-dimethylanthracene-2,7-diamine

C292H248N14 — CID 159541096

IUPAC9,10-dicyclohexyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-2-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine;2-N-isoquinolin-1-yl-2-N,7-N,7-N-tri(isoquinolin-3-yl)-9,10-dimethylanthracene-2,7-diamine
SMILESCc1c2ccc(N(c3cc4ccccc4cn3)c3cc4ccccc4cn3)cc2c(C)c2cc(N(c3cc4ccccc4cn3)c3nccc4ccccc34)ccc12.c1ccc(N(c2ccc3c(C4CCCCC4)c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4c(C4CCCCC4)c3c2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(C4CCCCC4)c4ccc(N(c5ccccc5)c5ccccc5)cc4c(C4CCCCC4)c3c2)cc1.c1ccc2c(N(c3ccc4c(C5CCCCC5)c5ccc(N(c6cccc7ccccc67)c6cccc7ccccc67)cc5c(C5CCCCC5)c4c3)c3cccc4ccccc34)cccc2c1.c1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4c(C5CCCCC5)c5ccc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc5c(C5CCCCC5)c4c3)ccc2c1
InChIInChI=1S/2C66H56N2.C58H52N2.C52H36N6.C50H48N2/c1-3-23-49(24-4-1)65-57-41-39-51(67(61-35-15-27-45-19-7-11-31-53(45)61)62-36-16-28-46-20-8-12-32-54(46)62)43-59(57)66(50-25-5-2-6-26-50)60-44-52(40-42-58(60)65)68(63-37-17-29-47-21-9-13-33-55(47)63)64-38-18-30-48-22-10-14-34-56(48)64;1-3-19-49(20-4-1)65-61-37-35-59(67(55-31-27-45-15-7-11-23-51(45)39-55)56-32-28-46-16-8-12-24-52(46)40-56)43-63(61)66(50-21-5-2-6-22-50)64-44-60(36-38-62(64)65)68(57-33-29-47-17-9-13-25-53(47)41-57)58-34-30-48-18-10-14-26-54(48)42-58;1-5-21-43(22-6-1)57-51-37-35-47(59(45-27-9-3-10-28-45)55-33-17-25-41-19-13-15-31-49(41)55)39-53(51)58(44-23-7-2-8-24-44)54-40-48(36-38-52(54)57)60(46-29-11-4-12-30-46)56-34-18-26-42-20-14-16-32-50(42)56;1-33-44-21-19-42(57(49-25-36-12-3-6-15-39(36)30-54-49)50-26-37-13-4-7-16-40(37)31-55-50)28-47(44)34(2)48-29-43(20-22-45(33)48)58(51-27-38-14-5-8-17-41(38)32-56-51)52-46-18-10-9-11-35(46)23-24-53-52;1-7-19-37(20-8-1)49-45-33-31-43(51(39-23-11-3-12-24-39)40-25-13-4-14-26-40)35-47(45)50(38-21-9-2-10-22-38)48-36-44(32-34-46(48)49)52(41-27-15-5-16-28-41)42-29-17-6-18-30-42/h7-22,27-44,49-50H,1-6,23-26H2;7-18,23-44,49-50H,1-6,19-22H2;3-4,9-20,25-40,43-44H,1-2,5-8,21-24H2;3-32H,1-2H3;3-6,11-18,23-38H,1-2,7-10,19-22H2
InChIKeyMEFJNRZDPGOWRV-UHFFFAOYSA-N
MW3953.29 g/mol
LogP85.39
Rot. Bonds38

About 9,10-dicyclohexyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-2-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine;2-N-isoquinolin-1-yl-2-N,7-N,7-N-tri(isoquinolin-3-yl)-9,10-dimethylanthracene-2,7-diamine

9,10-dicyclohexyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-2-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine;2-N-isoquinolin-1-yl-2-N,7-N,7-N-tri(isoquinolin-3-yl)-9,10-dimethylanthracene-2,7-diamine (PubChem CID 159541096) has the molecular formula C292H248N14 and a molecular weight of 3953.29 g/mol. Its IUPAC name is 9,10-dicyclohexyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-2-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine;2-N-isoquinolin-1-yl-2-N,7-N,7-N-tri(isoquinolin-3-yl)-9,10-dimethylanthracene-2,7-diamine.

Molecular Properties

Compound Name9,10-dicyclohexyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-2-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine;2-N-isoquinolin-1-yl-2-N,7-N,7-N-tri(isoquinolin-3-yl)-9,10-dimethylanthracene-2,7-diamine
PubChem CID159541096
Molecular FormulaC292H248N14
Molecular Weight3953.29 g/mol
Exact Mass3949.98
IUPAC Name9,10-dicyclohexyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-2-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine;2-N-isoquinolin-1-yl-2-N,7-N,7-N-tri(isoquinolin-3-yl)-9,10-dimethylanthracene-2,7-diamine
SMILESCc1c2ccc(N(c3cc4ccccc4cn3)c3cc4ccccc4cn3)cc2c(C)c2cc(N(c3cc4ccccc4cn3)c3nccc4ccccc34)ccc12.c1ccc(N(c2ccc3c(C4CCCCC4)c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4c(C4CCCCC4)c3c2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(C4CCCCC4)c4ccc(N(c5ccccc5)c5ccccc5)cc4c(C4CCCCC4)c3c2)cc1.c1ccc2c(N(c3ccc4c(C5CCCCC5)c5ccc(N(c6cccc7ccccc67)c6cccc7ccccc67)cc5c(C5CCCCC5)c4c3)c3cccc4ccccc34)cccc2c1.c1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4c(C5CCCCC5)c5ccc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc5c(C5CCCCC5)c4c3)ccc2c1
InChIInChI=1S/2C66H56N2.C58H52N2.C52H36N6.C50H48N2/c1-3-23-49(24-4-1)65-57-41-39-51(67(61-35-15-27-45-19-7-11-31-53(45)61)62-36-16-28-46-20-8-12-32-54(46)62)43-59(57)66(50-25-5-2-6-26-50)60-44-52(40-42-58(60)65)68(63-37-17-29-47-21-9-13-33-55(47)63)64-38-18-30-48-22-10-14-34-56(48)64;1-3-19-49(20-4-1)65-61-37-35-59(67(55-31-27-45-15-7-11-23-51(45)39-55)56-32-28-46-16-8-12-24-52(46)40-56)43-63(61)66(50-21-5-2-6-22-50)64-44-60(36-38-62(64)65)68(57-33-29-47-17-9-13-25-53(47)41-57)58-34-30-48-18-10-14-26-54(48)42-58;1-5-21-43(22-6-1)57-51-37-35-47(59(45-27-9-3-10-28-45)55-33-17-25-41-19-13-15-31-49(41)55)39-53(51)58(44-23-7-2-8-24-44)54-40-48(36-38-52(54)57)60(46-29-11-4-12-30-46)56-34-18-26-42-20-14-16-32-50(42)56;1-33-44-21-19-42(57(49-25-36-12-3-6-15-39(36)30-54-49)50-26-37-13-4-7-16-40(37)31-55-50)28-47(44)34(2)48-29-43(20-22-45(33)48)58(51-27-38-14-5-8-17-41(38)32-56-51)52-46-18-10-9-11-35(46)23-24-53-52;1-7-19-37(20-8-1)49-45-33-31-43(51(39-23-11-3-12-24-39)40-25-13-4-14-26-40)35-47(45)50(38-21-9-2-10-22-38)48-36-44(32-34-46(48)49)52(41-27-15-5-16-28-41)42-29-17-6-18-30-42/h7-22,27-44,49-50H,1-6,23-26H2;7-18,23-44,49-50H,1-6,19-22H2;3-4,9-20,25-40,43-44H,1-2,5-8,21-24H2;3-32H,1-2H3;3-6,11-18,23-38H,1-2,7-10,19-22H2
InChIKeyMEFJNRZDPGOWRV-UHFFFAOYSA-N
XLogP85.39
TPSA83.96 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds38
Heavy Atoms306
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003953.29
LogP ≤ 585.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9,10-dicyclohexyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-2-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine;2-N-isoquinolin-1-yl-2-N,7-N,7-N-tri(isoquinolin-3-yl)-9,10-dimethylanthracene-2,7-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

Frequently Asked Questions

What is the IUPAC name of 9,10-dicyclohexyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-2-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine;2-N-isoquinolin-1-yl-2-N,7-N,7-N-tri(isoquinolin-3-yl)-9,10-dimethylanthracene-2,7-diamine?
The IUPAC name of 9,10-dicyclohexyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-2-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine;2-N-isoquinolin-1-yl-2-N,7-N,7-N-tri(isoquinolin-3-yl)-9,10-dimethylanthracene-2,7-diamine (CID 159541096) is 9,10-dicyclohexyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-2-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine;2-N-isoquinolin-1-yl-2-N,7-N,7-N-tri(isoquinolin-3-yl)-9,10-dimethylanthracene-2,7-diamine.
What is the SMILES notation for 9,10-dicyclohexyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-2-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine;2-N-isoquinolin-1-yl-2-N,7-N,7-N-tri(isoquinolin-3-yl)-9,10-dimethylanthracene-2,7-diamine?
The canonical SMILES for 9,10-dicyclohexyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-2-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine;2-N-isoquinolin-1-yl-2-N,7-N,7-N-tri(isoquinolin-3-yl)-9,10-dimethylanthracene-2,7-diamine is Cc1c2ccc(N(c3cc4ccccc4cn3)c3cc4ccccc4cn3)cc2c(C)c2cc(N(c3cc4ccccc4cn3)c3nccc4ccccc34)ccc12.c1ccc(N(c2ccc3c(C4CCCCC4)c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4c(C4CCCCC4)c3c2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(C4CCCCC4)c4ccc(N(c5ccccc5)c5ccccc5)cc4c(C4CCCCC4)c3c2)cc1.c1ccc2c(N(c3ccc4c(C5CCCCC5)c5ccc(N(c6cccc7ccccc67)c6cccc7ccccc67)cc5c(C5CCCCC5)c4c3)c3cccc4ccccc34)cccc2c1.c1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4c(C5CCCCC5)c5ccc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc5c(C5CCCCC5)c4c3)ccc2c1.
What is the InChIKey of 9,10-dicyclohexyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-2-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine;2-N-isoquinolin-1-yl-2-N,7-N,7-N-tri(isoquinolin-3-yl)-9,10-dimethylanthracene-2,7-diamine?
The InChIKey is MEFJNRZDPGOWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C66H56N2.C58H52N2.C52H36N6.C50H48N2/c1-3-23-49(24-4-1)65-57-41-39-51(67(61-35-15-27-45-19-7-11-31-53(45)61)62-36-16-28-46-20-8-12-32-54(46)62)43-59(57)66(50-25-5-2-6-26-50)60-44-52(40-42-58(60)65)68(63-37-17-29-47-21-9-13-33-55(47)63)64-38-18-30-48-22-10-14-34-56(48)64;1-3-19-49(20-4-1)65-61-37-35-59(67(55-31-27-45-15-7-11-23-51(45)39-55)56-32-28-46-16-8-12-24-52(46)40-56)43-63(61)66(50-21-5-2-6-22-50)64-44-60(36-38-62(64)65)68(57-33-29-47-17-9-13-25-53(47)41-57)58-34-30-48-18-10-14-26-54(48)42-58;1-5-21-43(22-6-1)57-51-37-35-47(59(45-27-9-3-10-28-45)55-33-17-25-41-19-13-15-31-49(41)55)39-53(51)58(44-23-7-2-8-24-44)54-40-48(36-38-52(54)57)60(46-29-11-4-12-30-46)56-34-18-26-42-20-14-16-32-50(42)56;1-33-44-21-19-42(57(49-25-36-12-3-6-15-39(36)30-54-49)50-26-37-13-4-7-16-40(37)31-55-50)28-47(44)34(2)48-29-43(20-22-45(33)48)58(51-27-38-14-5-8-17-41(38)32-56-51)52-46-18-10-9-11-35(46)23-24-53-52;1-7-19-37(20-8-1)49-45-33-31-43(51(39-23-11-3-12-24-39)40-25-13-4-14-26-40)35-47(45)50(38-21-9-2-10-22-38)48-36-44(32-34-46(48)49)52(41-27-15-5-16-28-41)42-29-17-6-18-30-42/h7-22,27-44,49-50H,1-6,23-26H2;7-18,23-44,49-50H,1-6,19-22H2;3-4,9-20,25-40,43-44H,1-2,5-8,21-24H2;3-32H,1-2H3;3-6,11-18,23-38H,1-2,7-10,19-22H2.
What are the key properties of 9,10-dicyclohexyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-2-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine;2-N-isoquinolin-1-yl-2-N,7-N,7-N-tri(isoquinolin-3-yl)-9,10-dimethylanthracene-2,7-diamine?
9,10-dicyclohexyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-2-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine;2-N-isoquinolin-1-yl-2-N,7-N,7-N-tri(isoquinolin-3-yl)-9,10-dimethylanthracene-2,7-diamine has a molecular weight of 3953.29 g/mol, XLogP of 85.39, 38 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dicyclohexyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-2-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine;2-N-isoquinolin-1-yl-2-N,7-N,7-N-tri(isoquinolin-3-yl)-9,10-dimethylanthracene-2,7-diamine is sourced from PubChem (CID 159541096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).