3-(9H-fluoren-3-yl)-6-methyl-9-(4-methylphenyl)-4a,9a-dihydrocarbazole

C33H27N — CID 159331028

IUPAC3-(9H-fluoren-3-yl)-6-methyl-9-(4-methylphenyl)-4a,9a-dihydrocarbazole
SMILESCc1ccc(N2c3ccc(C)cc3C3C=C(c4ccc5c(c4)-c4ccccc4C5)C=CC32)cc1
InChIInChI=1S/C33H27N/c1-21-7-13-27(14-8-21)34-32-15-9-22(2)17-30(32)31-20-24(12-16-33(31)34)23-10-11-26-18-25-5-3-4-6-28(25)29(26)19-23/h3-17,19-20,31,33H,18H2,1-2H3
InChIKeyOEPMUERGKSQRPO-UHFFFAOYSA-N
MW437.59 g/mol
LogP8.13
Rot. Bonds2

About 3-(9H-fluoren-3-yl)-6-methyl-9-(4-methylphenyl)-4a,9a-dihydrocarbazole

3-(9H-fluoren-3-yl)-6-methyl-9-(4-methylphenyl)-4a,9a-dihydrocarbazole (PubChem CID 159331028) has the molecular formula C33H27N and a molecular weight of 437.59 g/mol. Its IUPAC name is 3-(9H-fluoren-3-yl)-6-methyl-9-(4-methylphenyl)-4a,9a-dihydrocarbazole.

Molecular Properties

Compound Name3-(9H-fluoren-3-yl)-6-methyl-9-(4-methylphenyl)-4a,9a-dihydrocarbazole
PubChem CID159331028
Molecular FormulaC33H27N
Molecular Weight437.59 g/mol
Exact Mass437.21
IUPAC Name3-(9H-fluoren-3-yl)-6-methyl-9-(4-methylphenyl)-4a,9a-dihydrocarbazole
SMILESCc1ccc(N2c3ccc(C)cc3C3C=C(c4ccc5c(c4)-c4ccccc4C5)C=CC32)cc1
InChIInChI=1S/C33H27N/c1-21-7-13-27(14-8-21)34-32-15-9-22(2)17-30(32)31-20-24(12-16-33(31)34)23-10-11-26-18-25-5-3-4-6-28(25)29(26)19-23/h3-17,19-20,31,33H,18H2,1-2H3
InChIKeyOEPMUERGKSQRPO-UHFFFAOYSA-N
XLogP8.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.59
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(9H-fluoren-3-yl)-9-(2-fluorophenyl)-4a,9a-dihydrocarbazole
CID 158808657
3,6-bis[6-methyl-9-(4-methylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole
CID 59818479
3-(9H-fluoren-3-yl)-9-phenyl-4a,9a-dihydrocarbazole;3-(6-naphthalen-1-yl-9H-fluoren-3-yl)-9-phenyl-4a,9a-dihydrocarbazole;9-phenyl-3-(6-phenyl-9H-fluoren-3-yl)-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(2-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(3-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(4-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole
CID 162048900
14-[6-[6-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-phenylcarbazol-3-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 89285749
9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
(E)-1-(9H-fluoren-4-yl)-N-[1-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]ethenyl]ethanimine
CID 145017143
3-(6-methylnaphthalen-2-yl)-9H-fluorene
CID 123870070
3-[9-(4-phenylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole
CID 118369059
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenyl-4a,9a-dihydrocarbazole
CID 138666201
5,9-diphenyl-3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole
CID 174252041
4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenyl-4a,9a-dihydrocarbazol-9-yl]-N,N-diphenylaniline
CID 88867268
3-[3-[4-methyl-3-[6-(4-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluorene
CID 143901236

Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-3-yl)-6-methyl-9-(4-methylphenyl)-4a,9a-dihydrocarbazole?
The IUPAC name of 3-(9H-fluoren-3-yl)-6-methyl-9-(4-methylphenyl)-4a,9a-dihydrocarbazole (CID 159331028) is 3-(9H-fluoren-3-yl)-6-methyl-9-(4-methylphenyl)-4a,9a-dihydrocarbazole.
What is the SMILES notation for 3-(9H-fluoren-3-yl)-6-methyl-9-(4-methylphenyl)-4a,9a-dihydrocarbazole?
The canonical SMILES for 3-(9H-fluoren-3-yl)-6-methyl-9-(4-methylphenyl)-4a,9a-dihydrocarbazole is Cc1ccc(N2c3ccc(C)cc3C3C=C(c4ccc5c(c4)-c4ccccc4C5)C=CC32)cc1.
What is the InChIKey of 3-(9H-fluoren-3-yl)-6-methyl-9-(4-methylphenyl)-4a,9a-dihydrocarbazole?
The InChIKey is OEPMUERGKSQRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N/c1-21-7-13-27(14-8-21)34-32-15-9-22(2)17-30(32)31-20-24(12-16-33(31)34)23-10-11-26-18-25-5-3-4-6-28(25)29(26)19-23/h3-17,19-20,31,33H,18H2,1-2H3.
What are the key properties of 3-(9H-fluoren-3-yl)-6-methyl-9-(4-methylphenyl)-4a,9a-dihydrocarbazole?
3-(9H-fluoren-3-yl)-6-methyl-9-(4-methylphenyl)-4a,9a-dihydrocarbazole has a molecular weight of 437.59 g/mol, XLogP of 8.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-3-yl)-6-methyl-9-(4-methylphenyl)-4a,9a-dihydrocarbazole is sourced from PubChem (CID 159331028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).