N-[4-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-naphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine

C94H60N8 — CID 59501136

IUPACN-[4-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-naphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine
SMILESc1ccc2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(N(c4ccc(-c5nc6ccccc6nc5-c5ccc(N(c6ccc(-n7c8ccccc8c8cc(-c9ccc%10ccccc%10c9)ccc87)cc6)c6cccc7cccnc67)cc5)cc4)c4cccc5cccnc45)cc3)ccc2c1
InChIInChI=1S/C94H60N8/c1-3-17-67-57-69(33-31-61(67)15-1)71-39-53-87-81(59-71)79-23-5-9-27-85(79)101(87)77-49-45-75(46-50-77)99(89-29-11-19-63-21-13-55-95-91(63)89)73-41-35-65(36-42-73)93-94(98-84-26-8-7-25-83(84)97-93)66-37-43-74(44-38-66)100(90-30-12-20-64-22-14-56-96-92(64)90)76-47-51-78(52-48-76)102-86-28-10-6-24-80(86)82-60-72(40-54-88(82)102)70-34-32-62-16-2-4-18-68(62)58-70/h1-60H
InChIKeyXRDAXTSVEIEPMY-UHFFFAOYSA-N
MW1301.57 g/mol
LogP24.83
Rot. Bonds12

About N-[4-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-naphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine

N-[4-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-naphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine (PubChem CID 59501136) has the molecular formula C94H60N8 and a molecular weight of 1301.57 g/mol. Its IUPAC name is N-[4-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-naphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine.

Molecular Properties

Compound NameN-[4-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-naphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine
PubChem CID59501136
Molecular FormulaC94H60N8
Molecular Weight1301.57 g/mol
Exact Mass1300.49
IUPAC NameN-[4-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-naphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine
SMILESc1ccc2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(N(c4ccc(-c5nc6ccccc6nc5-c5ccc(N(c6ccc(-n7c8ccccc8c8cc(-c9ccc%10ccccc%10c9)ccc87)cc6)c6cccc7cccnc67)cc5)cc4)c4cccc5cccnc45)cc3)ccc2c1
InChIInChI=1S/C94H60N8/c1-3-17-67-57-69(33-31-61(67)15-1)71-39-53-87-81(59-71)79-23-5-9-27-85(79)101(87)77-49-45-75(46-50-77)99(89-29-11-19-63-21-13-55-95-91(63)89)73-41-35-65(36-42-73)93-94(98-84-26-8-7-25-83(84)97-93)66-37-43-74(44-38-66)100(90-30-12-20-64-22-14-56-96-92(64)90)76-47-51-78(52-48-76)102-86-28-10-6-24-80(86)82-60-72(40-54-88(82)102)70-34-32-62-16-2-4-18-68(62)58-70/h1-60H
InChIKeyXRDAXTSVEIEPMY-UHFFFAOYSA-N
XLogP24.83
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001301.57
LogP ≤ 524.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[4-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-naphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-naphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
The IUPAC name of N-[4-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-naphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine (CID 59501136) is N-[4-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-naphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine.
What is the SMILES notation for N-[4-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-naphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
The canonical SMILES for N-[4-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-naphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine is c1ccc2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(N(c4ccc(-c5nc6ccccc6nc5-c5ccc(N(c6ccc(-n7c8ccccc8c8cc(-c9ccc%10ccccc%10c9)ccc87)cc6)c6cccc7cccnc67)cc5)cc4)c4cccc5cccnc45)cc3)ccc2c1.
What is the InChIKey of N-[4-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-naphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
The InChIKey is XRDAXTSVEIEPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H60N8/c1-3-17-67-57-69(33-31-61(67)15-1)71-39-53-87-81(59-71)79-23-5-9-27-85(79)101(87)77-49-45-75(46-50-77)99(89-29-11-19-63-21-13-55-95-91(63)89)73-41-35-65(36-42-73)93-94(98-84-26-8-7-25-83(84)97-93)66-37-43-74(44-38-66)100(90-30-12-20-64-22-14-56-96-92(64)90)76-47-51-78(52-48-76)102-86-28-10-6-24-80(86)82-60-72(40-54-88(82)102)70-34-32-62-16-2-4-18-68(62)58-70/h1-60H.
What are the key properties of N-[4-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-naphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
N-[4-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-naphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine has a molecular weight of 1301.57 g/mol, XLogP of 24.83, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-naphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine is sourced from PubChem (CID 59501136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).