2-N,9-N-bis(4-cyclohexylphenyl)-4,7,11,11,12,12-hexamethyl-2-N,9-N-diphenylindeno[2,1-a]fluorene-2,9-diamine

C62H64N2 — CID 58232279

IUPAC2-N,9-N-bis(4-cyclohexylphenyl)-4,7,11,11,12,12-hexamethyl-2-N,9-N-diphenylindeno[2,1-a]fluorene-2,9-diamine
SMILESCc1cc(N(c2ccccc2)c2ccc(C3CCCCC3)cc2)cc2c1-c1ccc3c(c1C2(C)C)C(C)(C)c1cc(N(c2ccccc2)c2ccc(C4CCCCC4)cc2)cc(C)c1-3
InChIInChI=1S/C62H64N2/c1-41-37-51(63(47-23-15-9-16-24-47)49-31-27-45(28-32-49)43-19-11-7-12-20-43)39-55-57(41)53-35-36-54-58-42(2)38-52(40-56(58)62(5,6)60(54)59(53)61(55,3)4)64(48-25-17-10-18-26-48)50-33-29-46(30-34-50)44-21-13-8-14-22-44/h9-10,15-18,23-40,43-44H,7-8,11-14,19-22H2,1-6H3
InChIKeyPOWQGNREPAKXNP-UHFFFAOYSA-N
MW837.21 g/mol
LogP17.95
Rot. Bonds8

About 2-N,9-N-bis(4-cyclohexylphenyl)-4,7,11,11,12,12-hexamethyl-2-N,9-N-diphenylindeno[2,1-a]fluorene-2,9-diamine

2-N,9-N-bis(4-cyclohexylphenyl)-4,7,11,11,12,12-hexamethyl-2-N,9-N-diphenylindeno[2,1-a]fluorene-2,9-diamine (PubChem CID 58232279) has the molecular formula C62H64N2 and a molecular weight of 837.21 g/mol. Its IUPAC name is 2-N,9-N-bis(4-cyclohexylphenyl)-4,7,11,11,12,12-hexamethyl-2-N,9-N-diphenylindeno[2,1-a]fluorene-2,9-diamine.

Molecular Properties

Compound Name2-N,9-N-bis(4-cyclohexylphenyl)-4,7,11,11,12,12-hexamethyl-2-N,9-N-diphenylindeno[2,1-a]fluorene-2,9-diamine
PubChem CID58232279
Molecular FormulaC62H64N2
Molecular Weight837.21 g/mol
Exact Mass836.51
IUPAC Name2-N,9-N-bis(4-cyclohexylphenyl)-4,7,11,11,12,12-hexamethyl-2-N,9-N-diphenylindeno[2,1-a]fluorene-2,9-diamine
SMILESCc1cc(N(c2ccccc2)c2ccc(C3CCCCC3)cc2)cc2c1-c1ccc3c(c1C2(C)C)C(C)(C)c1cc(N(c2ccccc2)c2ccc(C4CCCCC4)cc2)cc(C)c1-3
InChIInChI=1S/C62H64N2/c1-41-37-51(63(47-23-15-9-16-24-47)49-31-27-45(28-32-49)43-19-11-7-12-20-43)39-55-57(41)53-35-36-54-58-42(2)38-52(40-56(58)62(5,6)60(54)59(53)61(55,3)4)64(48-25-17-10-18-26-48)50-33-29-46(30-34-50)44-21-13-8-14-22-44/h9-10,15-18,23-40,43-44H,7-8,11-14,19-22H2,1-6H3
InChIKeyPOWQGNREPAKXNP-UHFFFAOYSA-N
XLogP17.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.21
LogP ≤ 517.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-N,9-N-bis(4-cyclohexylphenyl)-4,7,11,11,12,12-hexamethyl-2-N,9-N-diphenylindeno[2,1-a]fluorene-2,9-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

3-N-[4-(4-methylcyclohexyl)phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine
CID 177117435
4,6,6,11,12,12-hexamethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine
CID 58232307
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594
N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 171439085
N-[4-(4-cyclohexylphenyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 171439072
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 176611487
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine
CID 155467210
N-[3,5-bis(4-cyclohexylphenyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467122
3-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylphenyl)-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine
CID 177286665
methylcyclohexane;9-N,19-N,19-N-tris(4-cyclohexylphenyl)-12,12,22,22-tetramethyl-9-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
CID 143607906
5-N,22-N-bis(4-cyclohexylphenyl)-25,25-dimethyl-5-N,22-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
CID 121430654
4,6,6,10,12,12-hexamethyl-2-N,8-N-diphenyl-8-N-(4-phenylphenyl)-2-N-[4-(3-phenylphenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 90260304

Frequently Asked Questions

What is the IUPAC name of 2-N,9-N-bis(4-cyclohexylphenyl)-4,7,11,11,12,12-hexamethyl-2-N,9-N-diphenylindeno[2,1-a]fluorene-2,9-diamine?
The IUPAC name of 2-N,9-N-bis(4-cyclohexylphenyl)-4,7,11,11,12,12-hexamethyl-2-N,9-N-diphenylindeno[2,1-a]fluorene-2,9-diamine (CID 58232279) is 2-N,9-N-bis(4-cyclohexylphenyl)-4,7,11,11,12,12-hexamethyl-2-N,9-N-diphenylindeno[2,1-a]fluorene-2,9-diamine.
What is the SMILES notation for 2-N,9-N-bis(4-cyclohexylphenyl)-4,7,11,11,12,12-hexamethyl-2-N,9-N-diphenylindeno[2,1-a]fluorene-2,9-diamine?
The canonical SMILES for 2-N,9-N-bis(4-cyclohexylphenyl)-4,7,11,11,12,12-hexamethyl-2-N,9-N-diphenylindeno[2,1-a]fluorene-2,9-diamine is Cc1cc(N(c2ccccc2)c2ccc(C3CCCCC3)cc2)cc2c1-c1ccc3c(c1C2(C)C)C(C)(C)c1cc(N(c2ccccc2)c2ccc(C4CCCCC4)cc2)cc(C)c1-3.
What is the InChIKey of 2-N,9-N-bis(4-cyclohexylphenyl)-4,7,11,11,12,12-hexamethyl-2-N,9-N-diphenylindeno[2,1-a]fluorene-2,9-diamine?
The InChIKey is POWQGNREPAKXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H64N2/c1-41-37-51(63(47-23-15-9-16-24-47)49-31-27-45(28-32-49)43-19-11-7-12-20-43)39-55-57(41)53-35-36-54-58-42(2)38-52(40-56(58)62(5,6)60(54)59(53)61(55,3)4)64(48-25-17-10-18-26-48)50-33-29-46(30-34-50)44-21-13-8-14-22-44/h9-10,15-18,23-40,43-44H,7-8,11-14,19-22H2,1-6H3.
What are the key properties of 2-N,9-N-bis(4-cyclohexylphenyl)-4,7,11,11,12,12-hexamethyl-2-N,9-N-diphenylindeno[2,1-a]fluorene-2,9-diamine?
2-N,9-N-bis(4-cyclohexylphenyl)-4,7,11,11,12,12-hexamethyl-2-N,9-N-diphenylindeno[2,1-a]fluorene-2,9-diamine has a molecular weight of 837.21 g/mol, XLogP of 17.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,9-N-bis(4-cyclohexylphenyl)-4,7,11,11,12,12-hexamethyl-2-N,9-N-diphenylindeno[2,1-a]fluorene-2,9-diamine is sourced from PubChem (CID 58232279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).