N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-N-quinolin-8-ylanilino)phenyl]-6-naphthalen-2-ylquinoxalin-2-yl]phenyl]quinolin-8-amine

C84H54N8 — CID 59501039

IUPACN-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-N-quinolin-8-ylanilino)phenyl]-6-naphthalen-2-ylquinoxalin-2-yl]phenyl]quinolin-8-amine
SMILESc1ccc2cc(-c3ccc4nc(-c5ccc(N(c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6cccc7cccnc67)cc5)c(-c5ccc(N(c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6cccc7cccnc67)cc5)nc4c3)ccc2c1
InChIInChI=1S/C84H54N8/c1-2-16-60-53-61(32-31-55(60)15-1)62-37-50-73-74(54-62)88-84(59-35-40-64(41-36-59)90(80-30-12-18-57-20-14-52-86-82(57)80)66-44-48-68(49-45-66)92-77-27-9-5-23-71(77)72-24-6-10-28-78(72)92)83(87-73)58-33-38-63(39-34-58)89(79-29-11-17-56-19-13-51-85-81(56)79)65-42-46-67(47-43-65)91-75-25-7-3-21-69(75)70-22-4-8-26-76(70)91/h1-54H
InChIKeyYGQKKDJWXOCTRS-UHFFFAOYSA-N
MW1175.41 g/mol
LogP22.01
Rot. Bonds11

About N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-N-quinolin-8-ylanilino)phenyl]-6-naphthalen-2-ylquinoxalin-2-yl]phenyl]quinolin-8-amine

N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-N-quinolin-8-ylanilino)phenyl]-6-naphthalen-2-ylquinoxalin-2-yl]phenyl]quinolin-8-amine (PubChem CID 59501039) has the molecular formula C84H54N8 and a molecular weight of 1175.41 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-N-quinolin-8-ylanilino)phenyl]-6-naphthalen-2-ylquinoxalin-2-yl]phenyl]quinolin-8-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-N-quinolin-8-ylanilino)phenyl]-6-naphthalen-2-ylquinoxalin-2-yl]phenyl]quinolin-8-amine
PubChem CID59501039
Molecular FormulaC84H54N8
Molecular Weight1175.41 g/mol
Exact Mass1174.45
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-N-quinolin-8-ylanilino)phenyl]-6-naphthalen-2-ylquinoxalin-2-yl]phenyl]quinolin-8-amine
SMILESc1ccc2cc(-c3ccc4nc(-c5ccc(N(c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6cccc7cccnc67)cc5)c(-c5ccc(N(c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6cccc7cccnc67)cc5)nc4c3)ccc2c1
InChIInChI=1S/C84H54N8/c1-2-16-60-53-61(32-31-55(60)15-1)62-37-50-73-74(54-62)88-84(59-35-40-64(41-36-59)90(80-30-12-18-57-20-14-52-86-82(57)80)66-44-48-68(49-45-66)92-77-27-9-5-23-71(77)72-24-6-10-28-78(72)92)83(87-73)58-33-38-63(39-34-58)89(79-29-11-17-56-19-13-51-85-81(56)79)65-42-46-67(47-43-65)91-75-25-7-3-21-69(75)70-22-4-8-26-76(70)91/h1-54H
InChIKeyYGQKKDJWXOCTRS-UHFFFAOYSA-N
XLogP22.01
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001175.41
LogP ≤ 522.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-N-quinolin-8-ylanilino)phenyl]-6-naphthalen-2-ylquinoxalin-2-yl]phenyl]quinolin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-N-quinolin-8-ylanilino)phenyl]-6-naphthalen-2-ylquinoxalin-2-yl]phenyl]quinolin-8-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-N-quinolin-8-ylanilino)phenyl]-6-naphthalen-2-ylquinoxalin-2-yl]phenyl]quinolin-8-amine (CID 59501039) is N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-N-quinolin-8-ylanilino)phenyl]-6-naphthalen-2-ylquinoxalin-2-yl]phenyl]quinolin-8-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-N-quinolin-8-ylanilino)phenyl]-6-naphthalen-2-ylquinoxalin-2-yl]phenyl]quinolin-8-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-N-quinolin-8-ylanilino)phenyl]-6-naphthalen-2-ylquinoxalin-2-yl]phenyl]quinolin-8-amine is c1ccc2cc(-c3ccc4nc(-c5ccc(N(c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6cccc7cccnc67)cc5)c(-c5ccc(N(c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6cccc7cccnc67)cc5)nc4c3)ccc2c1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-N-quinolin-8-ylanilino)phenyl]-6-naphthalen-2-ylquinoxalin-2-yl]phenyl]quinolin-8-amine?
The InChIKey is YGQKKDJWXOCTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H54N8/c1-2-16-60-53-61(32-31-55(60)15-1)62-37-50-73-74(54-62)88-84(59-35-40-64(41-36-59)90(80-30-12-18-57-20-14-52-86-82(57)80)66-44-48-68(49-45-66)92-77-27-9-5-23-71(77)72-24-6-10-28-78(72)92)83(87-73)58-33-38-63(39-34-58)89(79-29-11-17-56-19-13-51-85-81(56)79)65-42-46-67(47-43-65)91-75-25-7-3-21-69(75)70-22-4-8-26-76(70)91/h1-54H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-N-quinolin-8-ylanilino)phenyl]-6-naphthalen-2-ylquinoxalin-2-yl]phenyl]quinolin-8-amine?
N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-N-quinolin-8-ylanilino)phenyl]-6-naphthalen-2-ylquinoxalin-2-yl]phenyl]quinolin-8-amine has a molecular weight of 1175.41 g/mol, XLogP of 22.01, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-N-quinolin-8-ylanilino)phenyl]-6-naphthalen-2-ylquinoxalin-2-yl]phenyl]quinolin-8-amine is sourced from PubChem (CID 59501039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).