3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-methylphenyl)carbazole

C40H31N — CID 145340655

IUPAC3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-methylphenyl)carbazole
SMILESCc1cccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4)ccc32)c1
InChIInChI=1S/C40H31N/c1-26-10-8-13-31(22-26)41-38-17-7-5-15-34(38)35-24-29(19-21-39(35)41)27-11-9-12-28(23-27)30-18-20-33-32-14-4-6-16-36(32)40(2,3)37(33)25-30/h4-25H,1-3H3
InChIKeyDOHWURHCHIUQSB-UHFFFAOYSA-N
MW525.70 g/mol
LogP10.73
Rot. Bonds3

About 3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-methylphenyl)carbazole

3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-methylphenyl)carbazole (PubChem CID 145340655) has the molecular formula C40H31N and a molecular weight of 525.70 g/mol. Its IUPAC name is 3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-methylphenyl)carbazole.

Molecular Properties

Compound Name3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-methylphenyl)carbazole
PubChem CID145340655
Molecular FormulaC40H31N
Molecular Weight525.70 g/mol
Exact Mass525.25
IUPAC Name3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-methylphenyl)carbazole
SMILESCc1cccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4)ccc32)c1
InChIInChI=1S/C40H31N/c1-26-10-8-13-31(22-26)41-38-17-7-5-15-34(38)35-24-29(19-21-39(35)41)27-11-9-12-28(23-27)30-18-20-33-32-14-4-6-16-36(32)40(2,3)37(33)25-30/h4-25H,1-3H3
InChIKeyDOHWURHCHIUQSB-UHFFFAOYSA-N
XLogP10.73
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.70
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole
CID 118919744
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 159307111
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
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-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311960
9-[6-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]carbazole
CID 59220162
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236852
3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 160879378
2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 122492205

Frequently Asked Questions

What is the IUPAC name of 3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-methylphenyl)carbazole?
The IUPAC name of 3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-methylphenyl)carbazole (CID 145340655) is 3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-methylphenyl)carbazole.
What is the SMILES notation for 3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-methylphenyl)carbazole?
The canonical SMILES for 3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-methylphenyl)carbazole is Cc1cccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4)ccc32)c1.
What is the InChIKey of 3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-methylphenyl)carbazole?
The InChIKey is DOHWURHCHIUQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31N/c1-26-10-8-13-31(22-26)41-38-17-7-5-15-34(38)35-24-29(19-21-39(35)41)27-11-9-12-28(23-27)30-18-20-33-32-14-4-6-16-36(32)40(2,3)37(33)25-30/h4-25H,1-3H3.
What are the key properties of 3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-methylphenyl)carbazole?
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-methylphenyl)carbazole has a molecular weight of 525.70 g/mol, XLogP of 10.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-methylphenyl)carbazole is sourced from PubChem (CID 145340655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).