3-N-cyclohexa-2,4-dien-1-yl-7,7-dimethyl-3-N,9-N,9-N-triphenyl-5-[4-(N-phenylanilino)phenyl]indeno[2,1-b]carbazole-3,9-diamine

C63H50N4 — CID 90050746

IUPAC3-N-cyclohexa-2,4-dien-1-yl-7,7-dimethyl-3-N,9-N,9-N-triphenyl-5-[4-(N-phenylanilino)phenyl]indeno[2,1-b]carbazole-3,9-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3c4ccc(N(c5ccccc5)C5C=CC=CC5)cc4n(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3cc21
InChIInChI=1S/C63H50N4/c1-63(2)59-41-53(65(47-25-13-5-14-26-47)48-27-15-6-16-28-48)37-39-55(59)57-43-58-56-40-38-54(66(49-29-17-7-18-30-49)50-31-19-8-20-32-50)42-61(56)67(62(58)44-60(57)63)52-35-33-51(34-36-52)64(45-21-9-3-10-22-45)46-23-11-4-12-24-46/h3-31,33-44,50H,32H2,1-2H3
InChIKeyHKUAEIBTVDMSAB-UHFFFAOYSA-N
MW863.12 g/mol
LogP17.05
Rot. Bonds10

About 3-N-cyclohexa-2,4-dien-1-yl-7,7-dimethyl-3-N,9-N,9-N-triphenyl-5-[4-(N-phenylanilino)phenyl]indeno[2,1-b]carbazole-3,9-diamine

3-N-cyclohexa-2,4-dien-1-yl-7,7-dimethyl-3-N,9-N,9-N-triphenyl-5-[4-(N-phenylanilino)phenyl]indeno[2,1-b]carbazole-3,9-diamine (PubChem CID 90050746) has the molecular formula C63H50N4 and a molecular weight of 863.12 g/mol. Its IUPAC name is 3-N-cyclohexa-2,4-dien-1-yl-7,7-dimethyl-3-N,9-N,9-N-triphenyl-5-[4-(N-phenylanilino)phenyl]indeno[2,1-b]carbazole-3,9-diamine.

Molecular Properties

Compound Name3-N-cyclohexa-2,4-dien-1-yl-7,7-dimethyl-3-N,9-N,9-N-triphenyl-5-[4-(N-phenylanilino)phenyl]indeno[2,1-b]carbazole-3,9-diamine
PubChem CID90050746
Molecular FormulaC63H50N4
Molecular Weight863.12 g/mol
Exact Mass862.40
IUPAC Name3-N-cyclohexa-2,4-dien-1-yl-7,7-dimethyl-3-N,9-N,9-N-triphenyl-5-[4-(N-phenylanilino)phenyl]indeno[2,1-b]carbazole-3,9-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3c4ccc(N(c5ccccc5)C5C=CC=CC5)cc4n(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3cc21
InChIInChI=1S/C63H50N4/c1-63(2)59-41-53(65(47-25-13-5-14-26-47)48-27-15-6-16-28-48)37-39-55(59)57-43-58-56-40-38-54(66(49-29-17-7-18-30-49)50-31-19-8-20-32-50)42-61(56)67(62(58)44-60(57)63)52-35-33-51(34-36-52)64(45-21-9-3-10-22-45)46-23-11-4-12-24-46/h3-31,33-44,50H,32H2,1-2H3
InChIKeyHKUAEIBTVDMSAB-UHFFFAOYSA-N
XLogP17.05
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.12
LogP ≤ 517.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-N-cyclohexa-2,4-dien-1-yl-7,7-dimethyl-3-N,9-N,9-N-triphenyl-5-[4-(N-phenylanilino)phenyl]indeno[2,1-b]carbazole-3,9-diamine with MolForge

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Related Compounds

3-N-cyclohexa-2,4-dien-1-yl-3-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-1-N-phenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 163696412
7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-9-amine
CID 66804881
7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
CID 137385651
7,7-dimethyl-N-(3-phenylphenyl)-N,5-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
CID 137385657
7,7-dimethyl-5-phenyl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-9-amine
CID 66805021
9,9-dimethyl-N,N-diphenyl-7-[2-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]ethynyl]fluoren-2-amine
CID 89492402
19-N-cyclohexa-2,4-dien-1-yl-9-N-(4-heptylphenyl)-12,12,22,22-tetramethyl-9-N,19-N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
CID 130183972
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,N-bis[4-(1-adamantyl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine
CID 170543141
7-carbazol-9-yl-9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 71038403
7,7-dimethyl-5-naphthalen-2-yl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
CID 137385663
2-N,7-N-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 58969350

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclohexa-2,4-dien-1-yl-7,7-dimethyl-3-N,9-N,9-N-triphenyl-5-[4-(N-phenylanilino)phenyl]indeno[2,1-b]carbazole-3,9-diamine?
The IUPAC name of 3-N-cyclohexa-2,4-dien-1-yl-7,7-dimethyl-3-N,9-N,9-N-triphenyl-5-[4-(N-phenylanilino)phenyl]indeno[2,1-b]carbazole-3,9-diamine (CID 90050746) is 3-N-cyclohexa-2,4-dien-1-yl-7,7-dimethyl-3-N,9-N,9-N-triphenyl-5-[4-(N-phenylanilino)phenyl]indeno[2,1-b]carbazole-3,9-diamine.
What is the SMILES notation for 3-N-cyclohexa-2,4-dien-1-yl-7,7-dimethyl-3-N,9-N,9-N-triphenyl-5-[4-(N-phenylanilino)phenyl]indeno[2,1-b]carbazole-3,9-diamine?
The canonical SMILES for 3-N-cyclohexa-2,4-dien-1-yl-7,7-dimethyl-3-N,9-N,9-N-triphenyl-5-[4-(N-phenylanilino)phenyl]indeno[2,1-b]carbazole-3,9-diamine is CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3c4ccc(N(c5ccccc5)C5C=CC=CC5)cc4n(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3cc21.
What is the InChIKey of 3-N-cyclohexa-2,4-dien-1-yl-7,7-dimethyl-3-N,9-N,9-N-triphenyl-5-[4-(N-phenylanilino)phenyl]indeno[2,1-b]carbazole-3,9-diamine?
The InChIKey is HKUAEIBTVDMSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H50N4/c1-63(2)59-41-53(65(47-25-13-5-14-26-47)48-27-15-6-16-28-48)37-39-55(59)57-43-58-56-40-38-54(66(49-29-17-7-18-30-49)50-31-19-8-20-32-50)42-61(56)67(62(58)44-60(57)63)52-35-33-51(34-36-52)64(45-21-9-3-10-22-45)46-23-11-4-12-24-46/h3-31,33-44,50H,32H2,1-2H3.
What are the key properties of 3-N-cyclohexa-2,4-dien-1-yl-7,7-dimethyl-3-N,9-N,9-N-triphenyl-5-[4-(N-phenylanilino)phenyl]indeno[2,1-b]carbazole-3,9-diamine?
3-N-cyclohexa-2,4-dien-1-yl-7,7-dimethyl-3-N,9-N,9-N-triphenyl-5-[4-(N-phenylanilino)phenyl]indeno[2,1-b]carbazole-3,9-diamine has a molecular weight of 863.12 g/mol, XLogP of 17.05, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclohexa-2,4-dien-1-yl-7,7-dimethyl-3-N,9-N,9-N-triphenyl-5-[4-(N-phenylanilino)phenyl]indeno[2,1-b]carbazole-3,9-diamine is sourced from PubChem (CID 90050746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).