N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-4-[7,12-diphenyl-4-[3-(N-quinolin-8-ylanilino)phenyl]benzo[k]fluoranthen-9-yl]-N-phenylisoquinolin-8-amine

C106H66N4 — CID 134387015

IUPACN-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-4-[7,12-diphenyl-4-[3-(N-quinolin-8-ylanilino)phenyl]benzo[k]fluoranthen-9-yl]-N-phenylisoquinolin-8-amine
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(N(c5ccccc5)c5cccc6c(-c7ccc8c(-c9ccccc9)c9c(c(-c%10ccccc%10)c8c7)-c7ccc(-c8cccc(N(c%10ccccc%10)c%10cccc%11cccnc%10%11)c8)c8cccc-9c78)cncc56)c4)c4cccc-3c24)cc1
InChIInChI=1S/C106H66N4/c1-7-28-67(29-8-1)96-84-46-19-20-47-85(84)97(68-30-9-2-10-31-68)104-89-59-57-79(82-49-24-51-87(100(82)89)102(96)104)72-37-21-44-77(62-72)109(75-40-15-5-16-41-75)94-53-26-48-81-92(65-107-66-93(81)94)74-55-56-86-91(64-74)99(70-34-13-4-14-35-70)105-90-60-58-80(83-50-25-52-88(101(83)90)103(105)98(86)69-32-11-3-12-33-69)73-38-22-45-78(63-73)110(76-42-17-6-18-43-76)95-54-23-36-71-39-27-61-108-106(71)95/h1-66H
InChIKeyCGHXCAIVYOWKJY-UHFFFAOYSA-N
MW1395.72 g/mol
LogP29.30
Rot. Bonds13

About N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-4-[7,12-diphenyl-4-[3-(N-quinolin-8-ylanilino)phenyl]benzo[k]fluoranthen-9-yl]-N-phenylisoquinolin-8-amine

N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-4-[7,12-diphenyl-4-[3-(N-quinolin-8-ylanilino)phenyl]benzo[k]fluoranthen-9-yl]-N-phenylisoquinolin-8-amine (PubChem CID 134387015) has the molecular formula C106H66N4 and a molecular weight of 1395.72 g/mol. Its IUPAC name is N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-4-[7,12-diphenyl-4-[3-(N-quinolin-8-ylanilino)phenyl]benzo[k]fluoranthen-9-yl]-N-phenylisoquinolin-8-amine.

Molecular Properties

Compound NameN-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-4-[7,12-diphenyl-4-[3-(N-quinolin-8-ylanilino)phenyl]benzo[k]fluoranthen-9-yl]-N-phenylisoquinolin-8-amine
PubChem CID134387015
Molecular FormulaC106H66N4
Molecular Weight1395.72 g/mol
Exact Mass1394.53
IUPAC NameN-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-4-[7,12-diphenyl-4-[3-(N-quinolin-8-ylanilino)phenyl]benzo[k]fluoranthen-9-yl]-N-phenylisoquinolin-8-amine
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(N(c5ccccc5)c5cccc6c(-c7ccc8c(-c9ccccc9)c9c(c(-c%10ccccc%10)c8c7)-c7ccc(-c8cccc(N(c%10ccccc%10)c%10cccc%11cccnc%10%11)c8)c8cccc-9c78)cncc56)c4)c4cccc-3c24)cc1
InChIInChI=1S/C106H66N4/c1-7-28-67(29-8-1)96-84-46-19-20-47-85(84)97(68-30-9-2-10-31-68)104-89-59-57-79(82-49-24-51-87(100(82)89)102(96)104)72-37-21-44-77(62-72)109(75-40-15-5-16-41-75)94-53-26-48-81-92(65-107-66-93(81)94)74-55-56-86-91(64-74)99(70-34-13-4-14-35-70)105-90-60-58-80(83-50-25-52-88(101(83)90)103(105)98(86)69-32-11-3-12-33-69)73-38-22-45-78(63-73)110(76-42-17-6-18-43-76)95-54-23-36-71-39-27-61-108-106(71)95/h1-66H
InChIKeyCGHXCAIVYOWKJY-UHFFFAOYSA-N
XLogP29.30
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001395.72
LogP ≤ 529.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-4-[7,12-diphenyl-4-[3-(N-quinolin-8-ylanilino)phenyl]benzo[k]fluoranthen-9-yl]-N-phenylisoquinolin-8-amine with MolForge

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Related Compounds

N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-N-naphthalen-1-yl-6-[3-[3-[naphthalen-1-yl(pyridin-4-yl)amino]phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]pyridin-3-amine
CID 134387092
7-(1,9-phenanthrolin-7-yl)-N,N,6-triphenylbenzo[k]phenanthridin-4-amine
CID 171054754
N-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-N-[2-methyl-5-[3-[4-(2-methyl-N-pyridin-3-ylanilino)phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]phenyl]pyridin-2-amine
CID 134387016
N-(9,9-dimethylfluoren-2-yl)-6-[3-[3-[(9,9-dimethylfluoren-2-yl)-pyridin-4-ylamino]phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-3-amine
CID 134387037
N-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063313
3-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 169062986
N-[4-(12-cyclohepta-1,3,6-trien-1-yl-7-phenylbenzo[k]fluoranthen-4-yl)phenyl]-N-phenylbenzo[h]quinolin-6-amine
CID 166714248
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062420
N-(3-benzo[h]quinolin-10-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 118003274
4-N-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[5-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-N,4-N-diphenyl-4-N-(2-phenylphenyl)benzene-1,4-diamine;4-N-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[2-(9,10-diphenylanthracen-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[3-(9,10-diphenylanthracen-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 158021439
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-(2-phenylphenyl)-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-yl]phenanthren-9-amine
CID 157359441
N-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-N-phenylpyrimidin-5-amine
CID 118312558

Frequently Asked Questions

What is the IUPAC name of N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-4-[7,12-diphenyl-4-[3-(N-quinolin-8-ylanilino)phenyl]benzo[k]fluoranthen-9-yl]-N-phenylisoquinolin-8-amine?
The IUPAC name of N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-4-[7,12-diphenyl-4-[3-(N-quinolin-8-ylanilino)phenyl]benzo[k]fluoranthen-9-yl]-N-phenylisoquinolin-8-amine (CID 134387015) is N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-4-[7,12-diphenyl-4-[3-(N-quinolin-8-ylanilino)phenyl]benzo[k]fluoranthen-9-yl]-N-phenylisoquinolin-8-amine.
What is the SMILES notation for N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-4-[7,12-diphenyl-4-[3-(N-quinolin-8-ylanilino)phenyl]benzo[k]fluoranthen-9-yl]-N-phenylisoquinolin-8-amine?
The canonical SMILES for N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-4-[7,12-diphenyl-4-[3-(N-quinolin-8-ylanilino)phenyl]benzo[k]fluoranthen-9-yl]-N-phenylisoquinolin-8-amine is c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(N(c5ccccc5)c5cccc6c(-c7ccc8c(-c9ccccc9)c9c(c(-c%10ccccc%10)c8c7)-c7ccc(-c8cccc(N(c%10ccccc%10)c%10cccc%11cccnc%10%11)c8)c8cccc-9c78)cncc56)c4)c4cccc-3c24)cc1.
What is the InChIKey of N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-4-[7,12-diphenyl-4-[3-(N-quinolin-8-ylanilino)phenyl]benzo[k]fluoranthen-9-yl]-N-phenylisoquinolin-8-amine?
The InChIKey is CGHXCAIVYOWKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H66N4/c1-7-28-67(29-8-1)96-84-46-19-20-47-85(84)97(68-30-9-2-10-31-68)104-89-59-57-79(82-49-24-51-87(100(82)89)102(96)104)72-37-21-44-77(62-72)109(75-40-15-5-16-41-75)94-53-26-48-81-92(65-107-66-93(81)94)74-55-56-86-91(64-74)99(70-34-13-4-14-35-70)105-90-60-58-80(83-50-25-52-88(101(83)90)103(105)98(86)69-32-11-3-12-33-69)73-38-22-45-78(63-73)110(76-42-17-6-18-43-76)95-54-23-36-71-39-27-61-108-106(71)95/h1-66H.
What are the key properties of N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-4-[7,12-diphenyl-4-[3-(N-quinolin-8-ylanilino)phenyl]benzo[k]fluoranthen-9-yl]-N-phenylisoquinolin-8-amine?
N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-4-[7,12-diphenyl-4-[3-(N-quinolin-8-ylanilino)phenyl]benzo[k]fluoranthen-9-yl]-N-phenylisoquinolin-8-amine has a molecular weight of 1395.72 g/mol, XLogP of 29.30, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-4-[7,12-diphenyl-4-[3-(N-quinolin-8-ylanilino)phenyl]benzo[k]fluoranthen-9-yl]-N-phenylisoquinolin-8-amine is sourced from PubChem (CID 134387015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).