N-(4-fluoranthen-3-ylphenyl)-N-phenylisoquinolin-5-amine

C37H24N2 — CID 118410702

IUPACN-(4-fluoranthen-3-ylphenyl)-N-phenylisoquinolin-5-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc2)c2cccc3cnccc23)cc1
InChIInChI=1S/C37H24N2/c1-2-9-27(10-3-1)39(36-15-6-8-26-24-38-23-22-30(26)36)28-18-16-25(17-19-28)29-20-21-35-32-12-5-4-11-31(32)34-14-7-13-33(29)37(34)35/h1-24H
InChIKeyUFMPULLDAPDAOA-UHFFFAOYSA-N
MW496.61 g/mol
LogP10.17
Rot. Bonds4

About N-(4-fluoranthen-3-ylphenyl)-N-phenylisoquinolin-5-amine

N-(4-fluoranthen-3-ylphenyl)-N-phenylisoquinolin-5-amine (PubChem CID 118410702) has the molecular formula C37H24N2 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-(4-fluoranthen-3-ylphenyl)-N-phenylisoquinolin-5-amine.

Molecular Properties

Compound NameN-(4-fluoranthen-3-ylphenyl)-N-phenylisoquinolin-5-amine
PubChem CID118410702
Molecular FormulaC37H24N2
Molecular Weight496.61 g/mol
Exact Mass496.19
IUPAC NameN-(4-fluoranthen-3-ylphenyl)-N-phenylisoquinolin-5-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc2)c2cccc3cnccc23)cc1
InChIInChI=1S/C37H24N2/c1-2-9-27(10-3-1)39(36-15-6-8-26-24-38-23-22-30(26)36)28-18-16-25(17-19-28)29-20-21-35-32-12-5-4-11-31(32)34-14-7-13-33(29)37(34)35/h1-24H
InChIKeyUFMPULLDAPDAOA-UHFFFAOYSA-N
XLogP10.17
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]naphthalen-1-yl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612695
N-[3,5-di(fluoranthen-3-yl)phenyl]-N-naphthalen-1-ylpyridin-3-amine
CID 118312599
N,N-diphenyl-5-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaen-19-amine
CID 156512724
N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 58750828
N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 137392263
N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 140943779
N-(4-naphthalen-1-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168788408
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
2-(N-(4-fluoranthen-3-ylphenyl)anilino)benzonitrile
CID 118410708
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501407

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoranthen-3-ylphenyl)-N-phenylisoquinolin-5-amine?
The IUPAC name of N-(4-fluoranthen-3-ylphenyl)-N-phenylisoquinolin-5-amine (CID 118410702) is N-(4-fluoranthen-3-ylphenyl)-N-phenylisoquinolin-5-amine.
What is the SMILES notation for N-(4-fluoranthen-3-ylphenyl)-N-phenylisoquinolin-5-amine?
The canonical SMILES for N-(4-fluoranthen-3-ylphenyl)-N-phenylisoquinolin-5-amine is c1ccc(N(c2ccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc2)c2cccc3cnccc23)cc1.
What is the InChIKey of N-(4-fluoranthen-3-ylphenyl)-N-phenylisoquinolin-5-amine?
The InChIKey is UFMPULLDAPDAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2/c1-2-9-27(10-3-1)39(36-15-6-8-26-24-38-23-22-30(26)36)28-18-16-25(17-19-28)29-20-21-35-32-12-5-4-11-31(32)34-14-7-13-33(29)37(34)35/h1-24H.
What are the key properties of N-(4-fluoranthen-3-ylphenyl)-N-phenylisoquinolin-5-amine?
N-(4-fluoranthen-3-ylphenyl)-N-phenylisoquinolin-5-amine has a molecular weight of 496.61 g/mol, XLogP of 10.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoranthen-3-ylphenyl)-N-phenylisoquinolin-5-amine is sourced from PubChem (CID 118410702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).