6,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-5,6-dihydrofluoren-2-amine

C40H34N2 — CID 138737474

IUPAC6,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-5,6-dihydrofluoren-2-amine
SMILESCC1C=CC2=C(C1)c1ccc(Nc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc1C2(C)C
InChIInChI=1S/C40H34N2/c1-26-13-21-36-34(23-26)32-20-19-30(25-37(32)40(36,2)3)41-29-17-14-27(15-18-29)28-16-22-39-35(24-28)33-11-7-8-12-38(33)42(39)31-9-5-4-6-10-31/h4-22,24-26,41H,23H2,1-3H3
InChIKeyAJCFRRAKGDSWKX-UHFFFAOYSA-N
MW542.73 g/mol
LogP10.84
Rot. Bonds4

About 6,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-5,6-dihydrofluoren-2-amine

6,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-5,6-dihydrofluoren-2-amine (PubChem CID 138737474) has the molecular formula C40H34N2 and a molecular weight of 542.73 g/mol. Its IUPAC name is 6,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-5,6-dihydrofluoren-2-amine.

Molecular Properties

Compound Name6,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-5,6-dihydrofluoren-2-amine
PubChem CID138737474
Molecular FormulaC40H34N2
Molecular Weight542.73 g/mol
Exact Mass542.27
IUPAC Name6,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-5,6-dihydrofluoren-2-amine
SMILESCC1C=CC2=C(C1)c1ccc(Nc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc1C2(C)C
InChIInChI=1S/C40H34N2/c1-26-13-21-36-34(23-26)32-20-19-30(25-37(32)40(36,2)3)41-29-17-14-27(15-18-29)28-16-22-39-35(24-28)33-11-7-8-12-38(33)42(39)31-9-5-4-6-10-31/h4-22,24-26,41H,23H2,1-3H3
InChIKeyAJCFRRAKGDSWKX-UHFFFAOYSA-N
XLogP10.84
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 ≤ 510.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-5,6-dihydrofluoren-2-amine
CID 130379068
5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,11,11-trimethyl-7,8-dihydroindeno[1,2-b]carbazole
CID 166957464
9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
CID 118227253
10,10-dimethyl-N,5-bis(4-phenylphenyl)-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)indeno[1,2-b]indol-8-amine
CID 137396964
N-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 71248522
N-(4-fluorophenyl)-4-(9-phenylcarbazol-3-yl)aniline
CID 59828035
N-phenyl-3-(9-phenylcarbazol-3-yl)aniline
CID 59827989
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
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
1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine
CID 175396320
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172

Frequently Asked Questions

What is the IUPAC name of 6,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-5,6-dihydrofluoren-2-amine?
The IUPAC name of 6,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-5,6-dihydrofluoren-2-amine (CID 138737474) is 6,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-5,6-dihydrofluoren-2-amine.
What is the SMILES notation for 6,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-5,6-dihydrofluoren-2-amine?
The canonical SMILES for 6,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-5,6-dihydrofluoren-2-amine is CC1C=CC2=C(C1)c1ccc(Nc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc1C2(C)C.
What is the InChIKey of 6,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-5,6-dihydrofluoren-2-amine?
The InChIKey is AJCFRRAKGDSWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34N2/c1-26-13-21-36-34(23-26)32-20-19-30(25-37(32)40(36,2)3)41-29-17-14-27(15-18-29)28-16-22-39-35(24-28)33-11-7-8-12-38(33)42(39)31-9-5-4-6-10-31/h4-22,24-26,41H,23H2,1-3H3.
What are the key properties of 6,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-5,6-dihydrofluoren-2-amine?
6,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-5,6-dihydrofluoren-2-amine has a molecular weight of 542.73 g/mol, XLogP of 10.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-5,6-dihydrofluoren-2-amine is sourced from PubChem (CID 138737474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).