9-methyl-N-phenyl-N-[4-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]-9H-fluoren-4-amine

C43H31N3 — CID 70853893

IUPAC9-methyl-N-phenyl-N-[4-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]-9H-fluoren-4-amine
SMILESCC1c2ccccc2-c2c1cccc2N(c1ccccc1)c1ccc(-c2ccc3c(c2)c2ncccc2n3-c2ccccc2)cc1
InChIInChI=1S/C43H31N3/c1-29-35-16-8-9-17-37(35)42-36(29)18-10-19-40(42)45(32-12-4-2-5-13-32)34-24-21-30(22-25-34)31-23-26-39-38(28-31)43-41(20-11-27-44-43)46(39)33-14-6-3-7-15-33/h2-29H,1H3
InChIKeyGKOACNKZVNSRLL-UHFFFAOYSA-N
MW589.74 g/mol
LogP11.45
Rot. Bonds5

About 9-methyl-N-phenyl-N-[4-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]-9H-fluoren-4-amine

9-methyl-N-phenyl-N-[4-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]-9H-fluoren-4-amine (PubChem CID 70853893) has the molecular formula C43H31N3 and a molecular weight of 589.74 g/mol. Its IUPAC name is 9-methyl-N-phenyl-N-[4-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]-9H-fluoren-4-amine.

Molecular Properties

Compound Name9-methyl-N-phenyl-N-[4-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]-9H-fluoren-4-amine
PubChem CID70853893
Molecular FormulaC43H31N3
Molecular Weight589.74 g/mol
Exact Mass589.25
IUPAC Name9-methyl-N-phenyl-N-[4-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]-9H-fluoren-4-amine
SMILESCC1c2ccccc2-c2c1cccc2N(c1ccccc1)c1ccc(-c2ccc3c(c2)c2ncccc2n3-c2ccccc2)cc1
InChIInChI=1S/C43H31N3/c1-29-35-16-8-9-17-37(35)42-36(29)18-10-19-40(42)45(32-12-4-2-5-13-32)34-24-21-30(22-25-34)31-23-26-39-38(28-31)43-41(20-11-27-44-43)46(39)33-14-6-3-7-15-33/h2-29H,1H3
InChIKeyGKOACNKZVNSRLL-UHFFFAOYSA-N
XLogP11.45
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-phenyl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 143813910
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503183
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
CID 168788688
N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502041
N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502793
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylaniline;2-phenyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;2-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 158204517
5-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole
CID 129221488
9-phenyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790655
N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167195810
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(2-phenylphenyl)aniline
CID 168788660
N,4-diphenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline;9,9-diphenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9-methyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine;N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 160532581
N,N,9-triphenyl-6-(9-phenylcarbazol-3-yl)carbazol-4-amine
CID 134369862

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-phenyl-N-[4-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]-9H-fluoren-4-amine?
The IUPAC name of 9-methyl-N-phenyl-N-[4-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]-9H-fluoren-4-amine (CID 70853893) is 9-methyl-N-phenyl-N-[4-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]-9H-fluoren-4-amine.
What is the SMILES notation for 9-methyl-N-phenyl-N-[4-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]-9H-fluoren-4-amine?
The canonical SMILES for 9-methyl-N-phenyl-N-[4-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]-9H-fluoren-4-amine is CC1c2ccccc2-c2c1cccc2N(c1ccccc1)c1ccc(-c2ccc3c(c2)c2ncccc2n3-c2ccccc2)cc1.
What is the InChIKey of 9-methyl-N-phenyl-N-[4-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]-9H-fluoren-4-amine?
The InChIKey is GKOACNKZVNSRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3/c1-29-35-16-8-9-17-37(35)42-36(29)18-10-19-40(42)45(32-12-4-2-5-13-32)34-24-21-30(22-25-34)31-23-26-39-38(28-31)43-41(20-11-27-44-43)46(39)33-14-6-3-7-15-33/h2-29H,1H3.
What are the key properties of 9-methyl-N-phenyl-N-[4-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]-9H-fluoren-4-amine?
9-methyl-N-phenyl-N-[4-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]-9H-fluoren-4-amine has a molecular weight of 589.74 g/mol, XLogP of 11.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-phenyl-N-[4-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]-9H-fluoren-4-amine is sourced from PubChem (CID 70853893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).