3-ethenyl-7,7-dimethyl-N-[4-(1-methylcarbazol-9-yl)phenyl]benzo[c]fluoren-4-amine

C40H32N2 — CID 144644984

IUPAC3-ethenyl-7,7-dimethyl-N-[4-(1-methylcarbazol-9-yl)phenyl]benzo[c]fluoren-4-amine
SMILESC=Cc1ccc2c3c(ccc2c1Nc1ccc(-n2c4ccccc4c4cccc(C)c42)cc1)C(C)(C)c1ccccc1-3
InChIInChI=1S/C40H32N2/c1-5-26-17-22-30-31(23-24-35-37(30)33-13-6-8-15-34(33)40(35,3)4)38(26)41-27-18-20-28(21-19-27)42-36-16-9-7-12-29(36)32-14-10-11-25(2)39(32)42/h5-24,41H,1H2,2-4H3
InChIKeyGQPHUUREEHOQGT-UHFFFAOYSA-N
MW540.71 g/mol
LogP10.94
Rot. Bonds4

About 3-ethenyl-7,7-dimethyl-N-[4-(1-methylcarbazol-9-yl)phenyl]benzo[c]fluoren-4-amine

3-ethenyl-7,7-dimethyl-N-[4-(1-methylcarbazol-9-yl)phenyl]benzo[c]fluoren-4-amine (PubChem CID 144644984) has the molecular formula C40H32N2 and a molecular weight of 540.71 g/mol. Its IUPAC name is 3-ethenyl-7,7-dimethyl-N-[4-(1-methylcarbazol-9-yl)phenyl]benzo[c]fluoren-4-amine.

Molecular Properties

Compound Name3-ethenyl-7,7-dimethyl-N-[4-(1-methylcarbazol-9-yl)phenyl]benzo[c]fluoren-4-amine
PubChem CID144644984
Molecular FormulaC40H32N2
Molecular Weight540.71 g/mol
Exact Mass540.26
IUPAC Name3-ethenyl-7,7-dimethyl-N-[4-(1-methylcarbazol-9-yl)phenyl]benzo[c]fluoren-4-amine
SMILESC=Cc1ccc2c3c(ccc2c1Nc1ccc(-n2c4ccccc4c4cccc(C)c42)cc1)C(C)(C)c1ccccc1-3
InChIInChI=1S/C40H32N2/c1-5-26-17-22-30-31(23-24-35-37(30)33-13-6-8-15-34(33)40(35,3)4)38(26)41-27-18-20-28(21-19-27)42-36-16-9-7-12-29(36)32-14-10-11-25(2)39(32)42/h5-24,41H,1H2,2-4H3
InChIKeyGQPHUUREEHOQGT-UHFFFAOYSA-N
XLogP10.94
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.71
LogP ≤ 510.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 118502376
7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole
CID 90441170
12-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 121343632
9-[6-carbazol-9-yl-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]carbazole
CID 59219726
28,28-dimethyl-12-phenyl-1,12-diazanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene
CID 146376237
20-[4-(9,9-dimethylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580551
9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole
CID 118099209
12-dibenzofuran-3-yl-7,7-dimethylindeno[1,2-a]carbazole
CID 118502345
12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 169014344
1-methyl-9,9-diphenylfluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 160789918
9,9-dimethyl-19-phenyl-19-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene
CID 126737984
11'-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 123926035

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-7,7-dimethyl-N-[4-(1-methylcarbazol-9-yl)phenyl]benzo[c]fluoren-4-amine?
The IUPAC name of 3-ethenyl-7,7-dimethyl-N-[4-(1-methylcarbazol-9-yl)phenyl]benzo[c]fluoren-4-amine (CID 144644984) is 3-ethenyl-7,7-dimethyl-N-[4-(1-methylcarbazol-9-yl)phenyl]benzo[c]fluoren-4-amine.
What is the SMILES notation for 3-ethenyl-7,7-dimethyl-N-[4-(1-methylcarbazol-9-yl)phenyl]benzo[c]fluoren-4-amine?
The canonical SMILES for 3-ethenyl-7,7-dimethyl-N-[4-(1-methylcarbazol-9-yl)phenyl]benzo[c]fluoren-4-amine is C=Cc1ccc2c3c(ccc2c1Nc1ccc(-n2c4ccccc4c4cccc(C)c42)cc1)C(C)(C)c1ccccc1-3.
What is the InChIKey of 3-ethenyl-7,7-dimethyl-N-[4-(1-methylcarbazol-9-yl)phenyl]benzo[c]fluoren-4-amine?
The InChIKey is GQPHUUREEHOQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N2/c1-5-26-17-22-30-31(23-24-35-37(30)33-13-6-8-15-34(33)40(35,3)4)38(26)41-27-18-20-28(21-19-27)42-36-16-9-7-12-29(36)32-14-10-11-25(2)39(32)42/h5-24,41H,1H2,2-4H3.
What are the key properties of 3-ethenyl-7,7-dimethyl-N-[4-(1-methylcarbazol-9-yl)phenyl]benzo[c]fluoren-4-amine?
3-ethenyl-7,7-dimethyl-N-[4-(1-methylcarbazol-9-yl)phenyl]benzo[c]fluoren-4-amine has a molecular weight of 540.71 g/mol, XLogP of 10.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-7,7-dimethyl-N-[4-(1-methylcarbazol-9-yl)phenyl]benzo[c]fluoren-4-amine is sourced from PubChem (CID 144644984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).