8,9,9-trimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-7,8-dihydrofluoren-2-amine

C52H42N2 — CID 138737549

IUPAC8,9,9-trimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-7,8-dihydrofluoren-2-amine
SMILESCC1CC=CC2=C1C(C)(C)c1cc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc3)ccc12
InChIInChI=1S/C52H42N2/c1-35-13-12-19-46-44-31-30-43(34-48(44)52(2,3)51(35)46)53(40-16-8-5-9-17-40)41-26-23-38(24-27-41)39-25-32-50-47(33-39)45-18-10-11-20-49(45)54(50)42-28-21-37(22-29-42)36-14-6-4-7-15-36/h4-12,14-35H,13H2,1-3H3
InChIKeyDDSDVYYGJAVSHQ-UHFFFAOYSA-N
MW694.92 g/mol
LogP14.23
Rot. Bonds6

About 8,9,9-trimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-7,8-dihydrofluoren-2-amine

8,9,9-trimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-7,8-dihydrofluoren-2-amine (PubChem CID 138737549) has the molecular formula C52H42N2 and a molecular weight of 694.92 g/mol. Its IUPAC name is 8,9,9-trimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-7,8-dihydrofluoren-2-amine.

Molecular Properties

Compound Name8,9,9-trimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-7,8-dihydrofluoren-2-amine
PubChem CID138737549
Molecular FormulaC52H42N2
Molecular Weight694.92 g/mol
Exact Mass694.33
IUPAC Name8,9,9-trimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-7,8-dihydrofluoren-2-amine
SMILESCC1CC=CC2=C1C(C)(C)c1cc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc3)ccc12
InChIInChI=1S/C52H42N2/c1-35-13-12-19-46-44-31-30-43(34-48(44)52(2,3)51(35)46)53(40-16-8-5-9-17-40)41-26-23-38(24-27-41)39-25-32-50-47(33-39)45-18-10-11-20-49(45)54(50)42-28-21-37(22-29-42)36-14-6-4-7-15-36/h4-12,14-35H,13H2,1-3H3
InChIKeyDDSDVYYGJAVSHQ-UHFFFAOYSA-N
XLogP14.23
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.92
LogP ≤ 514.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8,9,9-trimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-7,8-dihydrofluoren-2-amine with MolForge

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Related Compounds

N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 71038279
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-phenylphenyl)fluorene-2,7-diamine;7-(3,6-diphenylcarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158713660
N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 87412305
N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline
CID 89196839
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
9,9-dimethyl-N-phenyl-7-(3-phenylcarbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 58390142
9,9-dimethyl-N-phenyl-7-(3-phenylcarbazol-9-yl)-N-[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58390145
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-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 87174603
4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 166723492
2-carbazol-9-yl-9-[7-(2-carbazol-9-ylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]carbazole;2-carbazol-9-yl-9-[4-(2-carbazol-9-yl-6-phenylcarbazol-9-yl)phenyl]-6-phenylcarbazole;9-[9,9-dimethyl-7-[2-(N-phenylanilino)carbazol-9-yl]fluoren-2-yl]-N,N-diphenylcarbazol-2-amine;9-[9-[4-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]-3,6-diphenylcarbazole
CID 158084522
9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 71038312

Frequently Asked Questions

What is the IUPAC name of 8,9,9-trimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-7,8-dihydrofluoren-2-amine?
The IUPAC name of 8,9,9-trimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-7,8-dihydrofluoren-2-amine (CID 138737549) is 8,9,9-trimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-7,8-dihydrofluoren-2-amine.
What is the SMILES notation for 8,9,9-trimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-7,8-dihydrofluoren-2-amine?
The canonical SMILES for 8,9,9-trimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-7,8-dihydrofluoren-2-amine is CC1CC=CC2=C1C(C)(C)c1cc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc3)ccc12.
What is the InChIKey of 8,9,9-trimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-7,8-dihydrofluoren-2-amine?
The InChIKey is DDSDVYYGJAVSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42N2/c1-35-13-12-19-46-44-31-30-43(34-48(44)52(2,3)51(35)46)53(40-16-8-5-9-17-40)41-26-23-38(24-27-41)39-25-32-50-47(33-39)45-18-10-11-20-49(45)54(50)42-28-21-37(22-29-42)36-14-6-4-7-15-36/h4-12,14-35H,13H2,1-3H3.
What are the key properties of 8,9,9-trimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-7,8-dihydrofluoren-2-amine?
8,9,9-trimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-7,8-dihydrofluoren-2-amine has a molecular weight of 694.92 g/mol, XLogP of 14.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,9-trimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-7,8-dihydrofluoren-2-amine is sourced from PubChem (CID 138737549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).