7,7-dimethyl-5-naphthalen-2-yl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine

C55H40N2 — CID 137385663

IUPAC7,7-dimethyl-5-naphthalen-2-yl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2cc3c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4n(-c4ccc5ccccc5c4)c3cc21
InChIInChI=1S/C55H40N2/c1-55(2)51-20-12-11-19-47(51)49-35-50-48-32-31-46(34-53(48)57(54(50)36-52(49)55)45-30-25-39-17-9-10-18-42(39)33-45)56(43-26-21-40(22-27-43)37-13-5-3-6-14-37)44-28-23-41(24-29-44)38-15-7-4-8-16-38/h3-36H,1-2H3
InChIKeyAJQHSIOLSGWHBE-UHFFFAOYSA-N
MW728.94 g/mol
LogP15.05
Rot. Bonds6

About 7,7-dimethyl-5-naphthalen-2-yl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine

7,7-dimethyl-5-naphthalen-2-yl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine (PubChem CID 137385663) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is 7,7-dimethyl-5-naphthalen-2-yl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine.

Molecular Properties

Compound Name7,7-dimethyl-5-naphthalen-2-yl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
PubChem CID137385663
Molecular FormulaC55H40N2
Molecular Weight728.94 g/mol
Exact Mass728.32
IUPAC Name7,7-dimethyl-5-naphthalen-2-yl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2cc3c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4n(-c4ccc5ccccc5c4)c3cc21
InChIInChI=1S/C55H40N2/c1-55(2)51-20-12-11-19-47(51)49-35-50-48-32-31-46(34-53(48)57(54(50)36-52(49)55)45-30-25-39-17-9-10-18-42(39)33-45)56(43-26-21-40(22-27-43)37-13-5-3-6-14-37)44-28-23-41(24-29-44)38-15-7-4-8-16-38/h3-36H,1-2H3
InChIKeyAJQHSIOLSGWHBE-UHFFFAOYSA-N
XLogP15.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.94
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
CID 137385651
3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 159654715
7,7-dimethyl-N-(3-phenylphenyl)-N,5-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
CID 137385657
6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine
CID 139500760
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-naphthalen-2-ylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 59171726
N-[4-(9,9-dimethyl-1-naphthalen-2-yl-2,3-diphenylindeno[1,2-f]indol-7-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58131686
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 161470218
N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 166647123
22,22-dimethyl-N,N-diphenyl-10-(4-phenylphenyl)-10-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16,18,20,23-undecaen-6-amine
CID 118668017
N-[4-(28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaen-32-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 122527931
N-(4-benzo[b]carbazol-5-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(4-benzo[b]carbazol-5-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 159554893
3-[3-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 90185823

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-naphthalen-2-yl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine?
The IUPAC name of 7,7-dimethyl-5-naphthalen-2-yl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine (CID 137385663) is 7,7-dimethyl-5-naphthalen-2-yl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine.
What is the SMILES notation for 7,7-dimethyl-5-naphthalen-2-yl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine?
The canonical SMILES for 7,7-dimethyl-5-naphthalen-2-yl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine is CC1(C)c2ccccc2-c2cc3c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4n(-c4ccc5ccccc5c4)c3cc21.
What is the InChIKey of 7,7-dimethyl-5-naphthalen-2-yl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine?
The InChIKey is AJQHSIOLSGWHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2/c1-55(2)51-20-12-11-19-47(51)49-35-50-48-32-31-46(34-53(48)57(54(50)36-52(49)55)45-30-25-39-17-9-10-18-42(39)33-45)56(43-26-21-40(22-27-43)37-13-5-3-6-14-37)44-28-23-41(24-29-44)38-15-7-4-8-16-38/h3-36H,1-2H3.
What are the key properties of 7,7-dimethyl-5-naphthalen-2-yl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine?
7,7-dimethyl-5-naphthalen-2-yl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine has a molecular weight of 728.94 g/mol, XLogP of 15.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-naphthalen-2-yl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine is sourced from PubChem (CID 137385663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).