1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole

C39H29N — CID 129312013

IUPAC1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)cc21
InChIInChI=1S/C39H29N/c1-39(2)35-20-8-6-16-31(35)32-23-22-27(25-36(32)39)26-12-10-13-28(24-26)30-18-11-19-34-33-17-7-9-21-37(33)40(38(30)34)29-14-4-3-5-15-29/h3-25H,1-2H3
InChIKeySEQXCPASELKKAT-UHFFFAOYSA-N
MW511.67 g/mol
LogP10.42
Rot. Bonds3

About 1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole

1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole (PubChem CID 129312013) has the molecular formula C39H29N and a molecular weight of 511.67 g/mol. Its IUPAC name is 1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
PubChem CID129312013
Molecular FormulaC39H29N
Molecular Weight511.67 g/mol
Exact Mass511.23
IUPAC Name1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)cc21
InChIInChI=1S/C39H29N/c1-39(2)35-20-8-6-16-31(35)32-23-22-27(25-36(32)39)26-12-10-13-28(24-26)30-18-11-19-34-33-17-7-9-21-37(33)40(38(30)34)29-14-4-3-5-15-29/h3-25H,1-2H3
InChIKeySEQXCPASELKKAT-UHFFFAOYSA-N
XLogP10.42
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.67
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(9,9-dimethylfluoren-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147949558
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 129312019
1-dibenzofuran-3-yl-9-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole
CID 130355704
3-[3-(9,9-dimethylfluoren-2-yl)-5-triphenylen-2-ylphenyl]-6,9-diphenylcarbazole;9-phenyl-3-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole;9-phenyl-3-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 161477367
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylcarbazole;1-(9-phenylcarbazol-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 157295181
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 177080212
6-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole
CID 134530411
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 171414999
3-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-2-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170666044
2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 67473689
3-[9-[4-[6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158207100

Frequently Asked Questions

What is the IUPAC name of 1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole (CID 129312013) is 1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)cc21.
What is the InChIKey of 1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole?
The InChIKey is SEQXCPASELKKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N/c1-39(2)35-20-8-6-16-31(35)32-23-22-27(25-36(32)39)26-12-10-13-28(24-26)30-18-11-19-34-33-17-7-9-21-37(33)40(38(30)34)29-14-4-3-5-15-29/h3-25H,1-2H3.
What are the key properties of 1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole?
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole has a molecular weight of 511.67 g/mol, XLogP of 10.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 129312013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).