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

C106H66N4 — CID 134387092

IUPACN-[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
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(N(c5ccc(-c6ccc7c(-c8ccccc8)c8c(c(-c9ccccc9)c7c6)-c6cccc7c(-c9cccc(N(c%10ccncc%10)c%10cccc%11ccccc%10%11)c9)ccc-8c67)nc5)c5cccc6ccccc56)c4)c4cccc-3c24)cc1
InChIInChI=1S/C106H66N4/c1-5-27-69(28-6-1)97-86-43-17-18-44-87(86)98(70-29-7-2-8-30-70)105-91-56-54-81(84-45-23-47-89(101(84)91)103(97)105)74-38-20-40-78(64-74)110(96-50-22-36-68-26-14-16-42-83(68)96)79-52-58-94(108-66-79)75-51-53-88-93(65-75)100(72-33-11-4-12-34-72)104-90-48-24-46-85-80(55-57-92(102(85)90)106(104)99(88)71-31-9-3-10-32-71)73-37-19-39-77(63-73)109(76-59-61-107-62-60-76)95-49-21-35-67-25-13-15-41-82(67)95/h1-66H
InChIKeyYYJWNPSKMSBLER-UHFFFAOYSA-N
MW1395.72 g/mol
LogP29.30
Rot. Bonds13

About 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

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 (PubChem CID 134387092) 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]-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.

Molecular Properties

Compound NameN-[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
PubChem CID134387092
Molecular FormulaC106H66N4
Molecular Weight1395.72 g/mol
Exact Mass1394.53
IUPAC NameN-[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
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(N(c5ccc(-c6ccc7c(-c8ccccc8)c8c(c(-c9ccccc9)c7c6)-c6cccc7c(-c9cccc(N(c%10ccncc%10)c%10cccc%11ccccc%10%11)c9)ccc-8c67)nc5)c5cccc6ccccc56)c4)c4cccc-3c24)cc1
InChIInChI=1S/C106H66N4/c1-5-27-69(28-6-1)97-86-43-17-18-44-87(86)98(70-29-7-2-8-30-70)105-91-56-54-81(84-45-23-47-89(101(84)91)103(97)105)74-38-20-40-78(64-74)110(96-50-22-36-68-26-14-16-42-83(68)96)79-52-58-94(108-66-79)75-51-53-88-93(65-75)100(72-33-11-4-12-34-72)104-90-48-24-46-85-80(55-57-92(102(85)90)106(104)99(88)71-31-9-3-10-32-71)73-37-19-39-77(63-73)109(76-59-61-107-62-60-76)95-49-21-35-67-25-13-15-41-82(67)95/h1-66H
InChIKeyYYJWNPSKMSBLER-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]-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 with MolForge

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Related Compounds

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-[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
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-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062420
N-(4-fluoranthen-3-ylphenyl)-N-phenylisoquinolin-5-amine
CID 118410702
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-(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-[3,5-di(fluoranthen-3-yl)phenyl]-N-naphthalen-1-ylpyridin-3-amine
CID 118312599
2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 159869915
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine
CID 169062488
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(N(c5ccc(-c6ccc7c(-c8ccccc8)c8c(c(-c9ccccc9)c7c6)-c6cccc7c(-c9cccc(N(c%10ccncc%10)c%10cccc%11ccccc%10%11)c9)ccc-8c67)nc5)c5cccc6ccccc56)c4)c4cccc-3c24)cc1.
What is the InChIKey of 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?
The InChIKey is YYJWNPSKMSBLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H66N4/c1-5-27-69(28-6-1)97-86-43-17-18-44-87(86)98(70-29-7-2-8-30-70)105-91-56-54-81(84-45-23-47-89(101(84)91)103(97)105)74-38-20-40-78(64-74)110(96-50-22-36-68-26-14-16-42-83(68)96)79-52-58-94(108-66-79)75-51-53-88-93(65-75)100(72-33-11-4-12-34-72)104-90-48-24-46-85-80(55-57-92(102(85)90)106(104)99(88)71-31-9-3-10-32-71)73-37-19-39-77(63-73)109(76-59-61-107-62-60-76)95-49-21-35-67-25-13-15-41-82(67)95/h1-66H.
What are the key properties of 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?
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 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]-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 is sourced from PubChem (CID 134387092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).