3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole

C51H38N2 — CID 149382960

IUPAC3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(N3c4ccccc4C4C=C(c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)C=CC43)cc21
InChIInChI=1S/C51H38N2/c1-51(2)45-17-9-6-14-39(45)40-27-26-38(32-46(40)51)53-48-19-11-8-16-42(48)44-31-36(23-29-50(44)53)35-22-28-49-43(30-35)41-15-7-10-18-47(41)52(49)37-24-20-34(21-25-37)33-12-4-3-5-13-33/h3-32,44,50H,1-2H3
InChIKeyYMABRYACYBFXQG-UHFFFAOYSA-N
MW678.88 g/mol
LogP13.01
Rot. Bonds4

About 3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole

3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole (PubChem CID 149382960) has the molecular formula C51H38N2 and a molecular weight of 678.88 g/mol. Its IUPAC name is 3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
PubChem CID149382960
Molecular FormulaC51H38N2
Molecular Weight678.88 g/mol
Exact Mass678.30
IUPAC Name3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(N3c4ccccc4C4C=C(c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)C=CC43)cc21
InChIInChI=1S/C51H38N2/c1-51(2)45-17-9-6-14-39(45)40-27-26-38(32-46(40)51)53-48-19-11-8-16-42(48)44-31-36(23-29-50(44)53)35-22-28-49-43(30-35)41-15-7-10-18-47(41)52(49)37-24-20-34(21-25-37)33-12-4-3-5-13-33/h3-32,44,50H,1-2H3
InChIKeyYMABRYACYBFXQG-UHFFFAOYSA-N
XLogP13.01
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.88
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole
CID 130180361
6-[3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzene-1,2,3,4,5-pentol
CID 144560235
3-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456140
N-[2-[3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]phenyl]phenyl]-N-phenylpyridin-3-amine
CID 144640109
9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
3-(5,9-diphenyl-4a,9a-dihydrocarbazol-3-yl)-9-phenylcarbazole
CID 174244045
9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-4a,9a-dihydrocarbazol-2-yl]carbazole
CID 168748236
3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306698
5-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 146339498
9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 162005580
3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-9-[3-(4-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 139438644

Frequently Asked Questions

What is the IUPAC name of 3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole (CID 149382960) is 3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole is CC1(C)c2ccccc2-c2ccc(N3c4ccccc4C4C=C(c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)C=CC43)cc21.
What is the InChIKey of 3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The InChIKey is YMABRYACYBFXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2/c1-51(2)45-17-9-6-14-39(45)40-27-26-38(32-46(40)51)53-48-19-11-8-16-42(48)44-31-36(23-29-50(44)53)35-22-28-49-43(30-35)41-15-7-10-18-47(41)52(49)37-24-20-34(21-25-37)33-12-4-3-5-13-33/h3-32,44,50H,1-2H3.
What are the key properties of 3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole?
3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole has a molecular weight of 678.88 g/mol, XLogP of 13.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 149382960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).