N-(3-fluoranthen-3-ylphenyl)-N-phenyl-1-[3-[3-(N-quinolin-4-ylanilino)phenyl]fluoranthen-8-yl]isoquinolin-4-amine

C74H46N4 — CID 134387009

IUPACN-(3-fluoranthen-3-ylphenyl)-N-phenyl-1-[3-[3-(N-quinolin-4-ylanilino)phenyl]fluoranthen-8-yl]isoquinolin-4-amine
SMILESc1ccc(N(c2cccc(-c3ccc4c5c(cccc35)-c3cc(-c5ncc(N(c6ccccc6)c6cccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)c6)c6ccccc56)ccc3-4)c2)c2ccnc3ccccc23)cc1
InChIInChI=1S/C74H46N4/c1-3-19-50(20-4-1)77(70-41-42-75-69-34-12-11-29-67(69)70)52-23-13-17-47(43-52)55-38-40-65-58-36-35-49(45-68(58)63-33-16-31-61(55)73(63)65)74-66-28-10-9-27-59(66)71(46-76-74)78(51-21-5-2-6-22-51)53-24-14-18-48(44-53)54-37-39-64-57-26-8-7-25-56(57)62-32-15-30-60(54)72(62)64/h1-46H
InChIKeyQUZJJXZBLNBRPW-UHFFFAOYSA-N
MW991.21 g/mol
LogP20.32
Rot. Bonds9

About N-(3-fluoranthen-3-ylphenyl)-N-phenyl-1-[3-[3-(N-quinolin-4-ylanilino)phenyl]fluoranthen-8-yl]isoquinolin-4-amine

N-(3-fluoranthen-3-ylphenyl)-N-phenyl-1-[3-[3-(N-quinolin-4-ylanilino)phenyl]fluoranthen-8-yl]isoquinolin-4-amine (PubChem CID 134387009) has the molecular formula C74H46N4 and a molecular weight of 991.21 g/mol. Its IUPAC name is N-(3-fluoranthen-3-ylphenyl)-N-phenyl-1-[3-[3-(N-quinolin-4-ylanilino)phenyl]fluoranthen-8-yl]isoquinolin-4-amine.

Molecular Properties

Compound NameN-(3-fluoranthen-3-ylphenyl)-N-phenyl-1-[3-[3-(N-quinolin-4-ylanilino)phenyl]fluoranthen-8-yl]isoquinolin-4-amine
PubChem CID134387009
Molecular FormulaC74H46N4
Molecular Weight991.21 g/mol
Exact Mass990.37
IUPAC NameN-(3-fluoranthen-3-ylphenyl)-N-phenyl-1-[3-[3-(N-quinolin-4-ylanilino)phenyl]fluoranthen-8-yl]isoquinolin-4-amine
SMILESc1ccc(N(c2cccc(-c3ccc4c5c(cccc35)-c3cc(-c5ncc(N(c6ccccc6)c6cccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)c6)c6ccccc56)ccc3-4)c2)c2ccnc3ccccc23)cc1
InChIInChI=1S/C74H46N4/c1-3-19-50(20-4-1)77(70-41-42-75-69-34-12-11-29-67(69)70)52-23-13-17-47(43-52)55-38-40-65-58-36-35-49(45-68(58)63-33-16-31-61(55)73(63)65)74-66-28-10-9-27-59(66)71(46-76-74)78(51-21-5-2-6-22-51)53-24-14-18-48(44-53)54-37-39-64-57-26-8-7-25-56(57)62-32-15-30-60(54)72(62)64/h1-46H
InChIKeyQUZJJXZBLNBRPW-UHFFFAOYSA-N
XLogP20.32
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.21
LogP ≤ 520.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[8-[4-(4-fluoranthen-3-yl-N-pyridin-4-ylanilino)-2-pyridinyl]fluoranthen-3-yl]phenyl]-N-phenylquinolin-4-amine
CID 134386989
N-(4-fluoranthen-3-ylphenyl)-N-phenylisoquinolin-5-amine
CID 118410702
N-[3-(3,5-diphenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 166974675
2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172503058
ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine
CID 91567047
N,N-diphenyl-4-[5-[4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-4-[5-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
CID 158475864
N,N-diphenyl-4-[4-[3-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]quinoxalin-2-yl]phenyl]naphthalen-1-amine;N,N-diphenyl-5-[4-[3-[4-[5-(N-phenylanilino)naphthalen-1-yl]phenyl]quinoxalin-2-yl]phenyl]naphthalen-1-amine;N,N-diphenyl-4-[4-[4-[3-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline
CID 159820457
N-[3,5-di(fluoranthen-3-yl)phenyl]-N-naphthalen-1-ylpyridin-3-amine
CID 118312599
ethane;N-(3-fluoranthen-8-ylphenyl)-N-phenylpyridin-2-amine
CID 144605066
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-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172501525
N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-4-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-1-amine
CID 166589706

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoranthen-3-ylphenyl)-N-phenyl-1-[3-[3-(N-quinolin-4-ylanilino)phenyl]fluoranthen-8-yl]isoquinolin-4-amine?
The IUPAC name of N-(3-fluoranthen-3-ylphenyl)-N-phenyl-1-[3-[3-(N-quinolin-4-ylanilino)phenyl]fluoranthen-8-yl]isoquinolin-4-amine (CID 134387009) is N-(3-fluoranthen-3-ylphenyl)-N-phenyl-1-[3-[3-(N-quinolin-4-ylanilino)phenyl]fluoranthen-8-yl]isoquinolin-4-amine.
What is the SMILES notation for N-(3-fluoranthen-3-ylphenyl)-N-phenyl-1-[3-[3-(N-quinolin-4-ylanilino)phenyl]fluoranthen-8-yl]isoquinolin-4-amine?
The canonical SMILES for N-(3-fluoranthen-3-ylphenyl)-N-phenyl-1-[3-[3-(N-quinolin-4-ylanilino)phenyl]fluoranthen-8-yl]isoquinolin-4-amine is c1ccc(N(c2cccc(-c3ccc4c5c(cccc35)-c3cc(-c5ncc(N(c6ccccc6)c6cccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)c6)c6ccccc56)ccc3-4)c2)c2ccnc3ccccc23)cc1.
What is the InChIKey of N-(3-fluoranthen-3-ylphenyl)-N-phenyl-1-[3-[3-(N-quinolin-4-ylanilino)phenyl]fluoranthen-8-yl]isoquinolin-4-amine?
The InChIKey is QUZJJXZBLNBRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H46N4/c1-3-19-50(20-4-1)77(70-41-42-75-69-34-12-11-29-67(69)70)52-23-13-17-47(43-52)55-38-40-65-58-36-35-49(45-68(58)63-33-16-31-61(55)73(63)65)74-66-28-10-9-27-59(66)71(46-76-74)78(51-21-5-2-6-22-51)53-24-14-18-48(44-53)54-37-39-64-57-26-8-7-25-56(57)62-32-15-30-60(54)72(62)64/h1-46H.
What are the key properties of N-(3-fluoranthen-3-ylphenyl)-N-phenyl-1-[3-[3-(N-quinolin-4-ylanilino)phenyl]fluoranthen-8-yl]isoquinolin-4-amine?
N-(3-fluoranthen-3-ylphenyl)-N-phenyl-1-[3-[3-(N-quinolin-4-ylanilino)phenyl]fluoranthen-8-yl]isoquinolin-4-amine has a molecular weight of 991.21 g/mol, XLogP of 20.32, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoranthen-3-ylphenyl)-N-phenyl-1-[3-[3-(N-quinolin-4-ylanilino)phenyl]fluoranthen-8-yl]isoquinolin-4-amine is sourced from PubChem (CID 134387009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).