N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-7,11-diphenylindeno[2,1-a]carbazol-2-amine

C57H54N2 — CID 170543157

IUPACN,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-7,11-diphenylindeno[2,1-a]carbazol-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)ccc2-c2ccc3c4c(-c5ccccc5)cccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C57H54N2/c1-57(2)52-38-47(58(45-30-26-41(27-31-45)39-16-7-3-8-17-39)46-32-28-42(29-33-46)40-18-9-4-10-19-40)34-35-49(52)50-36-37-51-54-48(43-20-11-5-12-21-43)24-15-25-53(54)59(56(51)55(50)57)44-22-13-6-14-23-44/h5-6,11-15,20-40H,3-4,7-10,16-19H2,1-2H3
InChIKeyKKNMGSHYLKDKHU-UHFFFAOYSA-N
MW767.07 g/mol
LogP16.32
Rot. Bonds7

About N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-7,11-diphenylindeno[2,1-a]carbazol-2-amine

N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-7,11-diphenylindeno[2,1-a]carbazol-2-amine (PubChem CID 170543157) 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-7,11-diphenylindeno[2,1-a]carbazol-2-amine.

Molecular Properties

Compound NameN,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-7,11-diphenylindeno[2,1-a]carbazol-2-amine
PubChem CID170543157
Molecular FormulaC57H54N2
Molecular Weight767.07 g/mol
Exact Mass766.43
IUPAC NameN,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-7,11-diphenylindeno[2,1-a]carbazol-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)ccc2-c2ccc3c4c(-c5ccccc5)cccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C57H54N2/c1-57(2)52-38-47(58(45-30-26-41(27-31-45)39-16-7-3-8-17-39)46-32-28-42(29-33-46)40-18-9-4-10-19-40)34-35-49(52)50-36-37-51-54-48(43-20-11-5-12-21-43)24-15-25-53(54)59(56(51)55(50)57)44-22-13-6-14-23-44/h5-6,11-15,20-40H,3-4,7-10,16-19H2,1-2H3
InChIKeyKKNMGSHYLKDKHU-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-8,11-diphenylindeno[2,1-a]carbazol-2-amine
CID 170543002
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-(1-adamantyl)phenyl]-12,12-dimethyl-3,7,11-triphenylindeno[2,1-a]carbazol-2-amine
CID 170543238
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
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169009715
7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 164948696
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-12,12-dimethyl-4,8,11-triphenylindeno[2,1-a]carbazol-2-amine
CID 170543241
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]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 171439072
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)naphthalen-2-yl]fluoren-2-amine
CID 164774646

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-7,11-diphenylindeno[2,1-a]carbazol-2-amine?
The IUPAC name of N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-7,11-diphenylindeno[2,1-a]carbazol-2-amine (CID 170543157) is N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-7,11-diphenylindeno[2,1-a]carbazol-2-amine.
What is the SMILES notation for N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-7,11-diphenylindeno[2,1-a]carbazol-2-amine?
The canonical SMILES for N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-7,11-diphenylindeno[2,1-a]carbazol-2-amine is CC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)ccc2-c2ccc3c4c(-c5ccccc5)cccc4n(-c4ccccc4)c3c21.
What is the InChIKey of N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-7,11-diphenylindeno[2,1-a]carbazol-2-amine?
The InChIKey is KKNMGSHYLKDKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H54N2/c1-57(2)52-38-47(58(45-30-26-41(27-31-45)39-16-7-3-8-17-39)46-32-28-42(29-33-46)40-18-9-4-10-19-40)34-35-49(52)50-36-37-51-54-48(43-20-11-5-12-21-43)24-15-25-53(54)59(56(51)55(50)57)44-22-13-6-14-23-44/h5-6,11-15,20-40H,3-4,7-10,16-19H2,1-2H3.
What are the key properties of N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-7,11-diphenylindeno[2,1-a]carbazol-2-amine?
N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-7,11-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-7,11-diphenylindeno[2,1-a]carbazol-2-amine is sourced from PubChem (CID 170543157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).