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

C45H34N2 — CID 137385651

IUPAC7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2cc3c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C45H34N2/c1-45(2)41-21-13-12-20-37(41)39-29-40-38-27-26-36(28-43(38)47(44(40)30-42(39)45)34-18-10-5-11-19-34)46(33-16-8-4-9-17-33)35-24-22-32(23-25-35)31-14-6-3-7-15-31/h3-30H,1-2H3
InChIKeyIPXMOFNPVHMURH-UHFFFAOYSA-N
MW602.78 g/mol
LogP12.23
Rot. Bonds5

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

7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine (PubChem CID 137385651) has the molecular formula C45H34N2 and a molecular weight of 602.78 g/mol. Its IUPAC name is 7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine.

Molecular Properties

Compound Name7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
PubChem CID137385651
Molecular FormulaC45H34N2
Molecular Weight602.78 g/mol
Exact Mass602.27
IUPAC Name7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2cc3c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C45H34N2/c1-45(2)41-21-13-12-20-37(41)39-29-40-38-27-26-36(28-43(38)47(44(40)30-42(39)45)34-18-10-5-11-19-34)46(33-16-8-4-9-17-33)35-24-22-32(23-25-35)31-14-6-3-7-15-31/h3-30H,1-2H3
InChIKeyIPXMOFNPVHMURH-UHFFFAOYSA-N
XLogP12.23
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.78
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-dimethyl-N-(3-phenylphenyl)-N,5-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
CID 137385657
N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 134164505
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-phenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-2-amine
CID 66798022
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 159513219
7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-9-amine
CID 66804881
3-[3-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 90185823
7,7-dimethyl-5-naphthalen-2-yl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
CID 137385663
4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 66585298
7,7-dimethyl-5-phenyl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-9-amine
CID 66805021
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-[3-[3-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90185797
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

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine?
The IUPAC name of 7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine (CID 137385651) is 7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine.
What is the SMILES notation for 7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine?
The canonical SMILES for 7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine is CC1(C)c2ccccc2-c2cc3c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine?
The InChIKey is IPXMOFNPVHMURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N2/c1-45(2)41-21-13-12-20-37(41)39-29-40-38-27-26-36(28-43(38)47(44(40)30-42(39)45)34-18-10-5-11-19-34)46(33-16-8-4-9-17-33)35-24-22-32(23-25-35)31-14-6-3-7-15-31/h3-30H,1-2H3.
What are the key properties of 7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine?
7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine has a molecular weight of 602.78 g/mol, XLogP of 12.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine is sourced from PubChem (CID 137385651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).