N,N-bis(4-naphthalen-1-ylphenyl)-12-phenylindolo[1,2-b]isoquinolin-3-amine

C54H36N2 — CID 146508526

IUPACN,N-bis(4-naphthalen-1-ylphenyl)-12-phenylindolo[1,2-b]isoquinolin-3-amine
SMILESc1ccc(-c2c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3n3cc4ccccc4cc23)cc1
InChIInChI=1S/C54H36N2/c1-2-14-41(15-3-1)54-51-33-32-46(35-52(51)55-36-43-17-5-4-16-42(43)34-53(54)55)56(44-28-24-39(25-29-44)49-22-10-18-37-12-6-8-20-47(37)49)45-30-26-40(27-31-45)50-23-11-19-38-13-7-9-21-48(38)50/h1-36H
InChIKeyQZVQNUPPOSBSRE-UHFFFAOYSA-N
MW712.90 g/mol
LogP15.02
Rot. Bonds6

About N,N-bis(4-naphthalen-1-ylphenyl)-12-phenylindolo[1,2-b]isoquinolin-3-amine

N,N-bis(4-naphthalen-1-ylphenyl)-12-phenylindolo[1,2-b]isoquinolin-3-amine (PubChem CID 146508526) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is N,N-bis(4-naphthalen-1-ylphenyl)-12-phenylindolo[1,2-b]isoquinolin-3-amine.

Molecular Properties

Compound NameN,N-bis(4-naphthalen-1-ylphenyl)-12-phenylindolo[1,2-b]isoquinolin-3-amine
PubChem CID146508526
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC NameN,N-bis(4-naphthalen-1-ylphenyl)-12-phenylindolo[1,2-b]isoquinolin-3-amine
SMILESc1ccc(-c2c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3n3cc4ccccc4cc23)cc1
InChIInChI=1S/C54H36N2/c1-2-14-41(15-3-1)54-51-33-32-46(35-52(51)55-36-43-17-5-4-16-42(43)34-53(54)55)56(44-28-24-39(25-29-44)49-22-10-18-37-12-6-8-20-47(37)49)45-30-26-40(27-31-45)50-23-11-19-38-13-7-9-21-48(38)50/h1-36H
InChIKeyQZVQNUPPOSBSRE-UHFFFAOYSA-N
XLogP15.02
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 515.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(4-naphthalen-1-ylphenyl)-12-phenylindolo[1,2-b]isoquinolin-9-amine;N-dibenzofuran-3-yl-N-[3-[3-(12-phenylindolo[1,2-b]isoquinolin-8-yl)phenyl]phenyl]dibenzofuran-3-amine;N,N-diphenyl-4-[4-(12-phenylindolo[1,2-b]isoquinolin-8-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-12-phenyl-N-[4-(4-phenylphenyl)phenyl]indolo[1,2-b]isoquinolin-9-amine;12-phenyl-N,N-bis(4-phenylphenyl)indolo[1,2-b]isoquinolin-9-amine;N-[3-(12-phenylindolo[1,2-b]isoquinolin-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 161084145
N-[4-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 146508756
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063182
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 169063970
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062420
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
CID 58900796
4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169063324
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(2,4,6-triphenylphenyl)aniline
CID 166679444
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(4-phenylphenyl)indolo[2,1-b][1,3]benzothiazol-7-amine
CID 153475734
3-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 169062986

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-naphthalen-1-ylphenyl)-12-phenylindolo[1,2-b]isoquinolin-3-amine?
The IUPAC name of N,N-bis(4-naphthalen-1-ylphenyl)-12-phenylindolo[1,2-b]isoquinolin-3-amine (CID 146508526) is N,N-bis(4-naphthalen-1-ylphenyl)-12-phenylindolo[1,2-b]isoquinolin-3-amine.
What is the SMILES notation for N,N-bis(4-naphthalen-1-ylphenyl)-12-phenylindolo[1,2-b]isoquinolin-3-amine?
The canonical SMILES for N,N-bis(4-naphthalen-1-ylphenyl)-12-phenylindolo[1,2-b]isoquinolin-3-amine is c1ccc(-c2c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3n3cc4ccccc4cc23)cc1.
What is the InChIKey of N,N-bis(4-naphthalen-1-ylphenyl)-12-phenylindolo[1,2-b]isoquinolin-3-amine?
The InChIKey is QZVQNUPPOSBSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-2-14-41(15-3-1)54-51-33-32-46(35-52(51)55-36-43-17-5-4-16-42(43)34-53(54)55)56(44-28-24-39(25-29-44)49-22-10-18-37-12-6-8-20-47(37)49)45-30-26-40(27-31-45)50-23-11-19-38-13-7-9-21-48(38)50/h1-36H.
What are the key properties of N,N-bis(4-naphthalen-1-ylphenyl)-12-phenylindolo[1,2-b]isoquinolin-3-amine?
N,N-bis(4-naphthalen-1-ylphenyl)-12-phenylindolo[1,2-b]isoquinolin-3-amine has a molecular weight of 712.90 g/mol, XLogP of 15.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-naphthalen-1-ylphenyl)-12-phenylindolo[1,2-b]isoquinolin-3-amine is sourced from PubChem (CID 146508526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).