5-[4-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine

C41H24F5N3 — CID 130353095

IUPAC5-[4-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
SMILESFc1c(F)c(F)c(-c2cccc(-c3ccc(-n4c5ccncc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)c2)c(F)c1F
InChIInChI=1S/C41H24F5N3/c42-37-36(38(43)40(45)41(46)39(37)44)27-9-7-8-26(22-27)25-14-16-30(17-15-25)49-34-19-18-31(23-32(34)33-24-47-21-20-35(33)49)48(28-10-3-1-4-11-28)29-12-5-2-6-13-29/h1-24H
InChIKeyVNMUPBINOPLERR-UHFFFAOYSA-N
MW653.65 g/mol
LogP11.68
Rot. Bonds6

About 5-[4-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine

5-[4-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine (PubChem CID 130353095) has the molecular formula C41H24F5N3 and a molecular weight of 653.65 g/mol. Its IUPAC name is 5-[4-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine.

Molecular Properties

Compound Name5-[4-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
PubChem CID130353095
Molecular FormulaC41H24F5N3
Molecular Weight653.65 g/mol
Exact Mass653.19
IUPAC Name5-[4-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
SMILESFc1c(F)c(F)c(-c2cccc(-c3ccc(-n4c5ccncc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)c2)c(F)c1F
InChIInChI=1S/C41H24F5N3/c42-37-36(38(43)40(45)41(46)39(37)44)27-9-7-8-26(22-27)25-14-16-30(17-15-25)49-34-19-18-31(23-32(34)33-24-47-21-20-35(33)49)48(28-10-3-1-4-11-28)29-12-5-2-6-13-29/h1-24H
InChIKeyVNMUPBINOPLERR-UHFFFAOYSA-N
XLogP11.68
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.65
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-[4-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
CID 135252593
N,N-diphenyl-9-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-amine
CID 90168082
N,N-diphenyl-3-[6-(3-phenylphenyl)-9-[4-(5-phenyl-3-pyridinyl)phenyl]carbazol-3-yl]aniline
CID 129294355
10-[3-(9-oxoacridin-10-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]acridin-9-one
CID 130354253
1-[3-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]quinolin-4-one
CID 130355082
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026
4-(6,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-phenylaniline
CID 161184897
2-[4-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]benzonitrile
CID 135252561
5-[4-[4-(benzotriazol-1-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
CID 135252617
8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 59372042
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
N,N-diphenyl-5-[4-[11-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]-4,12-dithia-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,10-pentaen-5-yl]phenyl]pyrido[4,3-b]indol-8-amine
CID 135252515

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine?
The IUPAC name of 5-[4-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine (CID 130353095) is 5-[4-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine.
What is the SMILES notation for 5-[4-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine?
The canonical SMILES for 5-[4-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine is Fc1c(F)c(F)c(-c2cccc(-c3ccc(-n4c5ccncc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)c2)c(F)c1F.
What is the InChIKey of 5-[4-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine?
The InChIKey is VNMUPBINOPLERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24F5N3/c42-37-36(38(43)40(45)41(46)39(37)44)27-9-7-8-26(22-27)25-14-16-30(17-15-25)49-34-19-18-31(23-32(34)33-24-47-21-20-35(33)49)48(28-10-3-1-4-11-28)29-12-5-2-6-13-29/h1-24H.
What are the key properties of 5-[4-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine?
5-[4-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine has a molecular weight of 653.65 g/mol, XLogP of 11.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine is sourced from PubChem (CID 130353095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).