N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine

C57H54N2 — CID 170543002

IUPACN,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)ccc2-c2ccc3c4cc(-c5ccccc5)ccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C57H54N2/c1-57(2)53-38-48(58(46-28-23-42(24-29-46)39-15-7-3-8-16-39)47-30-25-43(26-31-47)40-17-9-4-10-18-40)32-33-49(53)50-34-35-51-52-37-44(41-19-11-5-12-20-41)27-36-54(52)59(56(51)55(50)57)45-21-13-6-14-22-45/h5-6,11-14,19-40H,3-4,7-10,15-18H2,1-2H3
InChIKeyWBMPPYJWWVBPTN-UHFFFAOYSA-N
MW767.07 g/mol
LogP16.32
Rot. Bonds7

About N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine

N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine (PubChem CID 170543002) has the molecular formula C57H54N2 and a molecular weight of 767.07 g/mol. Its IUPAC name is N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine.

Molecular Properties

Compound NameN,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine
PubChem CID170543002
Molecular FormulaC57H54N2
Molecular Weight767.07 g/mol
Exact Mass766.43
IUPAC NameN,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)ccc2-c2ccc3c4cc(-c5ccccc5)ccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C57H54N2/c1-57(2)53-38-48(58(46-28-23-42(24-29-46)39-15-7-3-8-16-39)47-30-25-43(26-31-47)40-17-9-4-10-18-40)32-33-49(53)50-34-35-51-52-37-44(41-19-11-5-12-20-41)27-36-54(52)59(56(51)55(50)57)45-21-13-6-14-22-45/h5-6,11-14,19-40H,3-4,7-10,15-18H2,1-2H3
InChIKeyWBMPPYJWWVBPTN-UHFFFAOYSA-N
XLogP16.32
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.07
LogP ≤ 516.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-2,5-diphenylindeno[1,2-c]carbazol-10-amine
CID 170543277
N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-5,8,11-triphenylindeno[2,1-a]carbazol-2-amine
CID 170543205
N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-7,11-diphenylindeno[2,1-a]carbazol-2-amine
CID 170543157
N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine
CID 170543272
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-12,12-dimethyl-4,8,11-triphenylindeno[2,1-a]carbazol-2-amine
CID 170543241
12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazole
CID 121287062
N-[3-[3-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118490399
N-[4-(4-cyclohexylphenyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 171439072
7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 164948696
4-[2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]ethynyl]-N,N-diphenylaniline
CID 71250126
N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 87412305
N-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-15-phenyl-N-(4-phenylphenyl)-10-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),19,21,23,26-dodecaen-7-amine
CID 163865645

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine?
The IUPAC name of N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine (CID 170543002) is N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine.
What is the SMILES notation for N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine?
The canonical SMILES for N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine is CC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)ccc2-c2ccc3c4cc(-c5ccccc5)ccc4n(-c4ccccc4)c3c21.
What is the InChIKey of N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine?
The InChIKey is WBMPPYJWWVBPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H54N2/c1-57(2)53-38-48(58(46-28-23-42(24-29-46)39-15-7-3-8-16-39)47-30-25-43(26-31-47)40-17-9-4-10-18-40)32-33-49(53)50-34-35-51-52-37-44(41-19-11-5-12-20-41)27-36-54(52)59(56(51)55(50)57)45-21-13-6-14-22-45/h5-6,11-14,19-40H,3-4,7-10,15-18H2,1-2H3.
What are the key properties of N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine?
N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine has a molecular weight of 767.07 g/mol, XLogP of 16.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine is sourced from PubChem (CID 170543002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).