N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-3,7,11-triphenylindeno[2,1-a]carbazol-2-amine

C71H66N2 — CID 170543238

IUPACN,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-3,7,11-triphenylindeno[2,1-a]carbazol-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c(-c3ccccc3)cc2-c2ccc3c4c(-c5ccccc5)cccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C71H66N2/c1-69(2)63-38-65(72(56-25-21-53(22-26-56)70-39-45-31-46(40-70)33-47(32-45)41-70)57-27-23-54(24-28-57)71-42-48-34-49(43-71)36-50(35-48)44-71)61(52-15-8-4-9-16-52)37-62(63)59-29-30-60-66-58(51-13-6-3-7-14-51)19-12-20-64(66)73(68(60)67(59)69)55-17-10-5-11-18-55/h3-30,37-38,45-50H,31-36,39-44H2,1-2H3
InChIKeyDSKXOGICFUSGDE-UHFFFAOYSA-N
MW947.32 g/mol
LogP18.83
Rot. Bonds8

About N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-3,7,11-triphenylindeno[2,1-a]carbazol-2-amine

N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-3,7,11-triphenylindeno[2,1-a]carbazol-2-amine (PubChem CID 170543238) has the molecular formula C71H66N2 and a molecular weight of 947.32 g/mol. Its IUPAC name is N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-3,7,11-triphenylindeno[2,1-a]carbazol-2-amine.

Molecular Properties

Compound NameN,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-3,7,11-triphenylindeno[2,1-a]carbazol-2-amine
PubChem CID170543238
Molecular FormulaC71H66N2
Molecular Weight947.32 g/mol
Exact Mass946.52
IUPAC NameN,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-3,7,11-triphenylindeno[2,1-a]carbazol-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c(-c3ccccc3)cc2-c2ccc3c4c(-c5ccccc5)cccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C71H66N2/c1-69(2)63-38-65(72(56-25-21-53(22-26-56)70-39-45-31-46(40-70)33-47(32-45)41-70)57-27-23-54(24-28-57)71-42-48-34-49(43-71)36-50(35-48)44-71)61(52-15-8-4-9-16-52)37-62(63)59-29-30-60-66-58(51-13-6-3-7-14-51)19-12-20-64(66)73(68(60)67(59)69)55-17-10-5-11-18-55/h3-30,37-38,45-50H,31-36,39-44H2,1-2H3
InChIKeyDSKXOGICFUSGDE-UHFFFAOYSA-N
XLogP18.83
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.32
LogP ≤ 518.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-3,7,11-triphenylindeno[2,1-a]carbazol-2-amine with MolForge

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Related Compounds

N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine
CID 170543272
N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethyl-3,5-diphenylfluoren-2-amine
CID 170529514
N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-7,11-diphenylindeno[2,1-a]carbazol-2-amine
CID 170543157
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-2-amine
CID 130204001
4-[4-(1-adamantyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028748
N,N-bis[4-(1-adamantyl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine
CID 170543141
N,N-bis[4-(1-adamantyl)phenyl]-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine
CID 170543145
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-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130197569
N-[4-(1-adamantyl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028657
3-N-[3-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275902
2-N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 164768061

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-3,7,11-triphenylindeno[2,1-a]carbazol-2-amine?
The IUPAC name of N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-3,7,11-triphenylindeno[2,1-a]carbazol-2-amine (CID 170543238) is N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-3,7,11-triphenylindeno[2,1-a]carbazol-2-amine.
What is the SMILES notation for N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-3,7,11-triphenylindeno[2,1-a]carbazol-2-amine?
The canonical SMILES for N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-3,7,11-triphenylindeno[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)c(-c3ccccc3)cc2-c2ccc3c4c(-c5ccccc5)cccc4n(-c4ccccc4)c3c21.
What is the InChIKey of N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-3,7,11-triphenylindeno[2,1-a]carbazol-2-amine?
The InChIKey is DSKXOGICFUSGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H66N2/c1-69(2)63-38-65(72(56-25-21-53(22-26-56)70-39-45-31-46(40-70)33-47(32-45)41-70)57-27-23-54(24-28-57)71-42-48-34-49(43-71)36-50(35-48)44-71)61(52-15-8-4-9-16-52)37-62(63)59-29-30-60-66-58(51-13-6-3-7-14-51)19-12-20-64(66)73(68(60)67(59)69)55-17-10-5-11-18-55/h3-30,37-38,45-50H,31-36,39-44H2,1-2H3.
What are the key properties of N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-3,7,11-triphenylindeno[2,1-a]carbazol-2-amine?
N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-3,7,11-triphenylindeno[2,1-a]carbazol-2-amine has a molecular weight of 947.32 g/mol, XLogP of 18.83, 8 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-3,7,11-triphenylindeno[2,1-a]carbazol-2-amine is sourced from PubChem (CID 170543238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).