9,9-dimethyl-N-[4-(9-phenyl-1,7,8,9a-tetrahydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine

C51H46N2 — CID 167195615

IUPAC9,9-dimethyl-N-[4-(9-phenyl-1,7,8,9a-tetrahydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine
SMILESCC1(C)C2=C(C=CCC2)c2ccc(N(c3ccc(-c4ccccc4)cc3)C3C=CC(C4=CCC5C(=C4)C4=C(CCC=C4)N5c4ccccc4)=CC3)cc21
InChIInChI=1S/C51H46N2/c1-51(2)47-19-11-9-17-43(47)44-31-30-42(34-48(44)51)52(40-26-21-36(22-27-40)35-13-5-3-6-14-35)41-28-23-37(24-29-41)38-25-32-50-46(33-38)45-18-10-12-20-49(45)53(50)39-15-7-4-8-16-39/h3-10,13-18,21-28,30-31,33-34,41,50H,11-12,19-20,29,32H2,1-2H3
InChIKeyPJWXUPFBGZWNPU-UHFFFAOYSA-N
MW686.94 g/mol
LogP12.89
Rot. Bonds6

About 9,9-dimethyl-N-[4-(9-phenyl-1,7,8,9a-tetrahydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine

9,9-dimethyl-N-[4-(9-phenyl-1,7,8,9a-tetrahydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine (PubChem CID 167195615) has the molecular formula C51H46N2 and a molecular weight of 686.94 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(9-phenyl-1,7,8,9a-tetrahydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(9-phenyl-1,7,8,9a-tetrahydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine
PubChem CID167195615
Molecular FormulaC51H46N2
Molecular Weight686.94 g/mol
Exact Mass686.37
IUPAC Name9,9-dimethyl-N-[4-(9-phenyl-1,7,8,9a-tetrahydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine
SMILESCC1(C)C2=C(C=CCC2)c2ccc(N(c3ccc(-c4ccccc4)cc3)C3C=CC(C4=CCC5C(=C4)C4=C(CCC=C4)N5c4ccccc4)=CC3)cc21
InChIInChI=1S/C51H46N2/c1-51(2)47-19-11-9-17-43(47)44-31-30-42(34-48(44)51)52(40-26-21-36(22-27-40)35-13-5-3-6-14-35)41-28-23-37(24-29-41)38-25-32-50-46(33-38)45-18-10-12-20-49(45)53(50)39-15-7-4-8-16-39/h3-10,13-18,21-28,30-31,33-34,41,50H,11-12,19-20,29,32H2,1-2H3
InChIKeyPJWXUPFBGZWNPU-UHFFFAOYSA-N
XLogP12.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.94
LogP ≤ 512.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-N-[4-(9-phenyl-1,7,8,9a-tetrahydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-2-N,2-N-diphenyl-7-N-(4-phenylcyclohexa-2,4-dien-1-yl)-7-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 167250657
9,9-dimethyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
CID 129301169
N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 129311306
4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 166723492
7-(4,4a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 167154560
CID 89095746
CID 89095746
9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)phenyl]-7,8-dihydrofluoren-2-amine
CID 153357644
N-(9,9-dimethylfluoren-2-yl)-N,2',7'-triphenylspiro[1,2-dihydrofluorene-9,9'-xanthene]-2-amine
CID 170242116
2-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-N,6-N,6-N-tris(9,9-dimethylfluoren-2-yl)-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 89189585
3-cyclohexa-1,5-dien-1-yl-9-(4-methylphenyl)-6-phenyl-1,9a-dihydrocarbazole
CID 144632066
9,9-dimethyl-2-N-(3-methylcyclohexa-1,5-dien-1-yl)-7-N-(5-methylcyclohexa-1,5-dien-1-yl)-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine
CID 163470569
N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline
CID 89196839

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(9-phenyl-1,7,8,9a-tetrahydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(9-phenyl-1,7,8,9a-tetrahydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine (CID 167195615) is 9,9-dimethyl-N-[4-(9-phenyl-1,7,8,9a-tetrahydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(9-phenyl-1,7,8,9a-tetrahydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(9-phenyl-1,7,8,9a-tetrahydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine is CC1(C)C2=C(C=CCC2)c2ccc(N(c3ccc(-c4ccccc4)cc3)C3C=CC(C4=CCC5C(=C4)C4=C(CCC=C4)N5c4ccccc4)=CC3)cc21.
What is the InChIKey of 9,9-dimethyl-N-[4-(9-phenyl-1,7,8,9a-tetrahydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine?
The InChIKey is PJWXUPFBGZWNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H46N2/c1-51(2)47-19-11-9-17-43(47)44-31-30-42(34-48(44)51)52(40-26-21-36(22-27-40)35-13-5-3-6-14-35)41-28-23-37(24-29-41)38-25-32-50-46(33-38)45-18-10-12-20-49(45)53(50)39-15-7-4-8-16-39/h3-10,13-18,21-28,30-31,33-34,41,50H,11-12,19-20,29,32H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-(9-phenyl-1,7,8,9a-tetrahydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine?
9,9-dimethyl-N-[4-(9-phenyl-1,7,8,9a-tetrahydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine has a molecular weight of 686.94 g/mol, XLogP of 12.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(9-phenyl-1,7,8,9a-tetrahydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine is sourced from PubChem (CID 167195615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).