N-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine

C114H72N8 — CID 59501040

IUPACN-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine
SMILESc1ccc2cc(-c3ccc4c(c3)c3cc(-c5ccc6ccccc6c5)ccc3n4-c3ccc(N(c4ccc(-c5nc6ccccc6nc5-c5ccc(N(c6ccc(-n7c8ccc(-c9ccc%10ccccc%10c9)cc8c8cc(-c9ccc%10ccccc%10c9)ccc87)cc6)c6cccc7cccnc67)cc5)cc4)c4cccc5cccnc45)cc3)ccc2c1
InChIInChI=1S/C114H72N8/c1-5-19-81-65-85(35-31-73(81)15-1)89-43-59-105-99(69-89)100-70-90(86-36-32-74-16-2-6-20-82(74)66-86)44-60-106(100)121(105)97-55-51-95(52-56-97)119(109-29-11-23-77-25-13-63-115-111(77)109)93-47-39-79(40-48-93)113-114(118-104-28-10-9-27-103(104)117-113)80-41-49-94(50-42-80)120(110-30-12-24-78-26-14-64-116-112(78)110)96-53-57-98(58-54-96)122-107-61-45-91(87-37-33-75-17-3-7-21-83(75)67-87)71-101(107)102-72-92(46-62-108(102)122)88-38-34-76-18-4-8-22-84(76)68-88/h1-72H
InChIKeyHQLUUABZQPFLHY-UHFFFAOYSA-N
MW1553.89 g/mol
LogP30.47
Rot. Bonds14

About N-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine

N-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine (PubChem CID 59501040) has the molecular formula C114H72N8 and a molecular weight of 1553.89 g/mol. Its IUPAC name is N-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine.

Molecular Properties

Compound NameN-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine
PubChem CID59501040
Molecular FormulaC114H72N8
Molecular Weight1553.89 g/mol
Exact Mass1552.59
IUPAC NameN-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine
SMILESc1ccc2cc(-c3ccc4c(c3)c3cc(-c5ccc6ccccc6c5)ccc3n4-c3ccc(N(c4ccc(-c5nc6ccccc6nc5-c5ccc(N(c6ccc(-n7c8ccc(-c9ccc%10ccccc%10c9)cc8c8cc(-c9ccc%10ccccc%10c9)ccc87)cc6)c6cccc7cccnc67)cc5)cc4)c4cccc5cccnc45)cc3)ccc2c1
InChIInChI=1S/C114H72N8/c1-5-19-81-65-85(35-31-73(81)15-1)89-43-59-105-99(69-89)100-70-90(86-36-32-74-16-2-6-20-82(74)66-86)44-60-106(100)121(105)97-55-51-95(52-56-97)119(109-29-11-23-77-25-13-63-115-111(77)109)93-47-39-79(40-48-93)113-114(118-104-28-10-9-27-103(104)117-113)80-41-49-94(50-42-80)120(110-30-12-24-78-26-14-64-116-112(78)110)96-53-57-98(58-54-96)122-107-61-45-91(87-37-33-75-17-3-7-21-83(75)67-87)71-101(107)102-72-92(46-62-108(102)122)88-38-34-76-18-4-8-22-84(76)68-88/h1-72H
InChIKeyHQLUUABZQPFLHY-UHFFFAOYSA-N
XLogP30.47
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001553.89
LogP ≤ 530.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-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-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
The IUPAC name of N-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine (CID 59501040) is N-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine.
What is the SMILES notation for N-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
The canonical SMILES for N-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine is c1ccc2cc(-c3ccc4c(c3)c3cc(-c5ccc6ccccc6c5)ccc3n4-c3ccc(N(c4ccc(-c5nc6ccccc6nc5-c5ccc(N(c6ccc(-n7c8ccc(-c9ccc%10ccccc%10c9)cc8c8cc(-c9ccc%10ccccc%10c9)ccc87)cc6)c6cccc7cccnc67)cc5)cc4)c4cccc5cccnc45)cc3)ccc2c1.
What is the InChIKey of N-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
The InChIKey is HQLUUABZQPFLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H72N8/c1-5-19-81-65-85(35-31-73(81)15-1)89-43-59-105-99(69-89)100-70-90(86-36-32-74-16-2-6-20-82(74)66-86)44-60-106(100)121(105)97-55-51-95(52-56-97)119(109-29-11-23-77-25-13-63-115-111(77)109)93-47-39-79(40-48-93)113-114(118-104-28-10-9-27-103(104)117-113)80-41-49-94(50-42-80)120(110-30-12-24-78-26-14-64-116-112(78)110)96-53-57-98(58-54-96)122-107-61-45-91(87-37-33-75-17-3-7-21-83(75)67-87)71-101(107)102-72-92(46-62-108(102)122)88-38-34-76-18-4-8-22-84(76)68-88/h1-72H.
What are the key properties of N-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
N-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine has a molecular weight of 1553.89 g/mol, XLogP of 30.47, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine is sourced from PubChem (CID 59501040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).