9,9-dimethyl-N-phenyl-N-(7-quinolin-3-ylnaphthalen-2-yl)fluoren-4-amine

C40H30N2 — CID 176587977

IUPAC9,9-dimethyl-N-phenyl-N-(7-quinolin-3-ylnaphthalen-2-yl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc4ccc(-c5cnc6ccccc6c5)cc4c3)cccc21
InChIInChI=1S/C40H30N2/c1-40(2)35-15-8-7-14-34(35)39-36(40)16-10-18-38(39)42(32-12-4-3-5-13-32)33-22-21-27-19-20-28(23-30(27)25-33)31-24-29-11-6-9-17-37(29)41-26-31/h3-26H,1-2H3
InChIKeyAZHUHXFOYLSFGE-UHFFFAOYSA-N
MW538.69 g/mol
LogP10.83
Rot. Bonds4

About 9,9-dimethyl-N-phenyl-N-(7-quinolin-3-ylnaphthalen-2-yl)fluoren-4-amine

9,9-dimethyl-N-phenyl-N-(7-quinolin-3-ylnaphthalen-2-yl)fluoren-4-amine (PubChem CID 176587977) has the molecular formula C40H30N2 and a molecular weight of 538.69 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-(7-quinolin-3-ylnaphthalen-2-yl)fluoren-4-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-(7-quinolin-3-ylnaphthalen-2-yl)fluoren-4-amine
PubChem CID176587977
Molecular FormulaC40H30N2
Molecular Weight538.69 g/mol
Exact Mass538.24
IUPAC Name9,9-dimethyl-N-phenyl-N-(7-quinolin-3-ylnaphthalen-2-yl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc4ccc(-c5cnc6ccccc6c5)cc4c3)cccc21
InChIInChI=1S/C40H30N2/c1-40(2)35-15-8-7-14-34(35)39-36(40)16-10-18-38(39)42(32-12-4-3-5-13-32)33-22-21-27-19-20-28(23-30(27)25-33)31-24-29-11-6-9-17-37(29)41-26-31/h3-26H,1-2H3
InChIKeyAZHUHXFOYLSFGE-UHFFFAOYSA-N
XLogP10.83
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.69
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 169020370
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019813
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020176
9,9-dimethyl-N-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019857
9,9-dimethyl-N,N-bis[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169020071
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170117408
N-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-phenylfluoren-4-amine
CID 167184501
N-(9,9-dimethylfluoren-4-yl)-N-(3-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine
CID 167183259
N-(2,4-dinaphthalen-2-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 155181697
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 155181875
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169020471
9,9-dimethyl-N-[2-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169019931

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-(7-quinolin-3-ylnaphthalen-2-yl)fluoren-4-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-(7-quinolin-3-ylnaphthalen-2-yl)fluoren-4-amine (CID 176587977) is 9,9-dimethyl-N-phenyl-N-(7-quinolin-3-ylnaphthalen-2-yl)fluoren-4-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-(7-quinolin-3-ylnaphthalen-2-yl)fluoren-4-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-(7-quinolin-3-ylnaphthalen-2-yl)fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc4ccc(-c5cnc6ccccc6c5)cc4c3)cccc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-(7-quinolin-3-ylnaphthalen-2-yl)fluoren-4-amine?
The InChIKey is AZHUHXFOYLSFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N2/c1-40(2)35-15-8-7-14-34(35)39-36(40)16-10-18-38(39)42(32-12-4-3-5-13-32)33-22-21-27-19-20-28(23-30(27)25-33)31-24-29-11-6-9-17-37(29)41-26-31/h3-26H,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-(7-quinolin-3-ylnaphthalen-2-yl)fluoren-4-amine?
9,9-dimethyl-N-phenyl-N-(7-quinolin-3-ylnaphthalen-2-yl)fluoren-4-amine has a molecular weight of 538.69 g/mol, XLogP of 10.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-N-(7-quinolin-3-ylnaphthalen-2-yl)fluoren-4-amine is sourced from PubChem (CID 176587977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).