9-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,4a-dihydrocarbazole

C31H25N — CID 146364509

IUPAC9-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,4a-dihydrocarbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c(N3C4=CC=CCC4c4ccccc43)cccc21
InChIInChI=1S/C31H25N/c1-31(2)25-14-6-3-12-24(25)30-23-13-9-17-29(22(23)18-19-26(30)31)32-27-15-7-4-10-20(27)21-11-5-8-16-28(21)32/h3-10,12-19,21H,11H2,1-2H3
InChIKeyNCSFJRHMIVIPTI-UHFFFAOYSA-N
MW411.55 g/mol
LogP8.23
Rot. Bonds1

About 9-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,4a-dihydrocarbazole

9-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,4a-dihydrocarbazole (PubChem CID 146364509) has the molecular formula C31H25N and a molecular weight of 411.55 g/mol. Its IUPAC name is 9-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,4a-dihydrocarbazole.

Molecular Properties

Compound Name9-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,4a-dihydrocarbazole
PubChem CID146364509
Molecular FormulaC31H25N
Molecular Weight411.55 g/mol
Exact Mass411.20
IUPAC Name9-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,4a-dihydrocarbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c(N3C4=CC=CCC4c4ccccc43)cccc21
InChIInChI=1S/C31H25N/c1-31(2)25-14-6-3-12-24(25)30-23-13-9-17-29(22(23)18-19-26(30)31)32-27-15-7-4-10-20(27)21-11-5-8-16-28(21)32/h3-10,12-19,21H,11H2,1-2H3
InChIKeyNCSFJRHMIVIPTI-UHFFFAOYSA-N
XLogP8.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[9-(9,9-dimethylfluoren-3-yl)-4b,5-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 167134855
N-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 167169670
9-phenyl-4,4a-dihydrocarbazole
CID 139382101
9,9-dimethyl-N-[4-(9-phenyl-4b,5-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 145370596
2-(4-methylphenyl)-9-naphthalen-1-yl-4,4a-dihydrocarbazole;toluene;3,9,9-trimethylfluorene
CID 144810428
11,11-dimethyl-2-(9-naphthalen-2-yl-4b,5-dihydrocarbazol-3-yl)-5-(3-phenylphenyl)indeno[1,2-b]carbazole
CID 145080000
7,7-dimethyl-5-phenyl-9-[4-[3-(2,4,6-trimethyl-3,5-diphenylphenyl)phenyl]naphthalen-1-yl]-1,12b-dihydroindeno[2,1-b]carbazole
CID 88941278
5-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]-10-methylphenazine
CID 59195181
11-[10-(9,9,17,17-tetramethyl-12-hexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaenyl)anthracen-9-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 91007170
10-[10-(9,9-dimethylfluoren-4-yl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene]
CID 155333180
11-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 88549554
7-(4,4a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 167154560

Frequently Asked Questions

What is the IUPAC name of 9-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,4a-dihydrocarbazole?
The IUPAC name of 9-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,4a-dihydrocarbazole (CID 146364509) is 9-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,4a-dihydrocarbazole.
What is the SMILES notation for 9-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,4a-dihydrocarbazole?
The canonical SMILES for 9-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,4a-dihydrocarbazole is CC1(C)c2ccccc2-c2c1ccc1c(N3C4=CC=CCC4c4ccccc43)cccc21.
What is the InChIKey of 9-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,4a-dihydrocarbazole?
The InChIKey is NCSFJRHMIVIPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N/c1-31(2)25-14-6-3-12-24(25)30-23-13-9-17-29(22(23)18-19-26(30)31)32-27-15-7-4-10-20(27)21-11-5-8-16-28(21)32/h3-10,12-19,21H,11H2,1-2H3.
What are the key properties of 9-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,4a-dihydrocarbazole?
9-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,4a-dihydrocarbazole has a molecular weight of 411.55 g/mol, XLogP of 8.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,4a-dihydrocarbazole is sourced from PubChem (CID 146364509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).