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

C65H62N2 — CID 170543272

IUPACN,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)ccc2-c2ccc3c4cc(-c5ccccc5)ccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C65H62N2/c1-63(2)59-34-54(22-23-55(59)56-24-25-57-58-33-48(47-9-5-3-6-10-47)13-26-60(58)67(62(57)61(56)63)51-11-7-4-8-12-51)66(52-18-14-49(15-19-52)64-35-41-27-42(36-64)29-43(28-41)37-64)53-20-16-50(17-21-53)65-38-44-30-45(39-65)32-46(31-44)40-65/h3-26,33-34,41-46H,27-32,35-40H2,1-2H3
InChIKeyIAKAGJCFIDIVDX-UHFFFAOYSA-N
MW871.22 g/mol
LogP17.16
Rot. Bonds7

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

N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine (PubChem CID 170543272) has the molecular formula C65H62N2 and a molecular weight of 871.22 g/mol. Its IUPAC name is N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine.

Molecular Properties

Compound NameN,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine
PubChem CID170543272
Molecular FormulaC65H62N2
Molecular Weight871.22 g/mol
Exact Mass870.49
IUPAC NameN,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)ccc2-c2ccc3c4cc(-c5ccccc5)ccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C65H62N2/c1-63(2)59-34-54(22-23-55(59)56-24-25-57-58-33-48(47-9-5-3-6-10-47)13-26-60(58)67(62(57)61(56)63)51-11-7-4-8-12-51)66(52-18-14-49(15-19-52)64-35-41-27-42(36-64)29-43(28-41)37-64)53-20-16-50(17-21-53)65-38-44-30-45(39-65)32-46(31-44)40-65/h3-26,33-34,41-46H,27-32,35-40H2,1-2H3
InChIKeyIAKAGJCFIDIVDX-UHFFFAOYSA-N
XLogP17.16
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.22
LogP ≤ 517.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-12,12-dimethyl-4,8,11-triphenylindeno[2,1-a]carbazol-2-amine
CID 170543241
N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine
CID 170543002
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-2-amine
CID 130204001
N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-3,7,11-triphenylindeno[2,1-a]carbazol-2-amine
CID 170543238
2-N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 164768061
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-11,11-dimethyl-2,5-diphenylindeno[1,2-b]carbazol-9-amine
CID 170543173
N,N-bis[4-(1-adamantyl)phenyl]-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine
CID 170543145
N,N-bis[4-(1-adamantyl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine
CID 170543141
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
12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazole
CID 121287062
N-[4-[7-(1-adamantyl)-9,9-dimethylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145346070
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

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine?
The IUPAC name of N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine (CID 170543272) is N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine.
What is the SMILES notation for N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine?
The canonical SMILES for N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine is CC1(C)c2cc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)ccc2-c2ccc3c4cc(-c5ccccc5)ccc4n(-c4ccccc4)c3c21.
What is the InChIKey of N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine?
The InChIKey is IAKAGJCFIDIVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H62N2/c1-63(2)59-34-54(22-23-55(59)56-24-25-57-58-33-48(47-9-5-3-6-10-47)13-26-60(58)67(62(57)61(56)63)51-11-7-4-8-12-51)66(52-18-14-49(15-19-52)64-35-41-27-42(36-64)29-43(28-41)37-64)53-20-16-50(17-21-53)65-38-44-30-45(39-65)32-46(31-44)40-65/h3-26,33-34,41-46H,27-32,35-40H2,1-2H3.
What are the key properties of N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine?
N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine has a molecular weight of 871.22 g/mol, XLogP of 17.16, 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-(1-adamantyl)phenyl]-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine is sourced from PubChem (CID 170543272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).