1,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1,9a-dihydrofluoren-2-amine

C40H34N2 — CID 163696353

IUPAC1,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1,9a-dihydrofluoren-2-amine
SMILESCC1C(Nc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)=CC=C2c3ccccc3C(C)(C)C21
InChIInChI=1S/C40H34N2/c1-26-36(23-22-33-31-13-7-9-15-35(31)40(2,3)39(26)33)41-29-20-17-27(18-21-29)28-19-24-38-34(25-28)32-14-8-10-16-37(32)42(38)30-11-5-4-6-12-30/h4-26,39,41H,1-3H3
InChIKeyJXHRNCLBFZFYSY-UHFFFAOYSA-N
MW542.73 g/mol
LogP10.39
Rot. Bonds4

About 1,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1,9a-dihydrofluoren-2-amine

1,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1,9a-dihydrofluoren-2-amine (PubChem CID 163696353) has the molecular formula C40H34N2 and a molecular weight of 542.73 g/mol. Its IUPAC name is 1,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1,9a-dihydrofluoren-2-amine.

Molecular Properties

Compound Name1,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1,9a-dihydrofluoren-2-amine
PubChem CID163696353
Molecular FormulaC40H34N2
Molecular Weight542.73 g/mol
Exact Mass542.27
IUPAC Name1,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1,9a-dihydrofluoren-2-amine
SMILESCC1C(Nc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)=CC=C2c3ccccc3C(C)(C)C21
InChIInChI=1S/C40H34N2/c1-26-36(23-22-33-31-13-7-9-15-35(31)40(2,3)39(26)33)41-29-20-17-27(18-21-29)28-19-24-38-34(25-28)32-14-8-10-16-37(32)42(38)30-11-5-4-6-12-30/h4-26,39,41H,1-3H3
InChIKeyJXHRNCLBFZFYSY-UHFFFAOYSA-N
XLogP10.39
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.73
LogP ≤ 510.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole
CID 129298840
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 129228869
4-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59282038
9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
CID 118227253
N-(4-fluorophenyl)-4-(9-phenylcarbazol-3-yl)aniline
CID 59828035
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 134361033
N-[4-(9-phenylcarbazol-3-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine
CID 118188114
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
4-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 59288178
N-(4-naphthalen-2-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288183
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403

Frequently Asked Questions

What is the IUPAC name of 1,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1,9a-dihydrofluoren-2-amine?
The IUPAC name of 1,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1,9a-dihydrofluoren-2-amine (CID 163696353) is 1,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1,9a-dihydrofluoren-2-amine.
What is the SMILES notation for 1,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1,9a-dihydrofluoren-2-amine?
The canonical SMILES for 1,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1,9a-dihydrofluoren-2-amine is CC1C(Nc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)=CC=C2c3ccccc3C(C)(C)C21.
What is the InChIKey of 1,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1,9a-dihydrofluoren-2-amine?
The InChIKey is JXHRNCLBFZFYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34N2/c1-26-36(23-22-33-31-13-7-9-15-35(31)40(2,3)39(26)33)41-29-20-17-27(18-21-29)28-19-24-38-34(25-28)32-14-8-10-16-37(32)42(38)30-11-5-4-6-12-30/h4-26,39,41H,1-3H3.
What are the key properties of 1,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1,9a-dihydrofluoren-2-amine?
1,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1,9a-dihydrofluoren-2-amine has a molecular weight of 542.73 g/mol, XLogP of 10.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1,9a-dihydrofluoren-2-amine is sourced from PubChem (CID 163696353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).