N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine

C114H72N8 — CID 59501127

IUPACN-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine
SMILESc1ccc2c(-c3ccc4c(c3)c3cc(-c5cccc6ccccc56)ccc3n4-c3ccc(N(c4ccc(-c5nc6ccccc6nc5-c5ccc(N(c6ccc(-n7c8ccc(-c9cccc%10ccccc9%10)cc8c8cc(-c9cccc%10ccccc9%10)ccc87)cc6)c6cccc7cccnc67)cc5)cc4)c4cccc5cccnc45)cc3)cccc2c1
InChIInChI=1S/C114H72N8/c1-5-31-91-73(19-1)23-11-35-95(91)81-47-63-105-99(69-81)100-70-82(96-36-12-24-74-20-2-6-32-92(74)96)48-64-106(100)121(105)89-59-55-87(56-60-89)119(109-41-15-27-77-29-17-67-115-111(77)109)85-51-43-79(44-52-85)113-114(118-104-40-10-9-39-103(104)117-113)80-45-53-86(54-46-80)120(110-42-16-28-78-30-18-68-116-112(78)110)88-57-61-90(62-58-88)122-107-65-49-83(97-37-13-25-75-21-3-7-33-93(75)97)71-101(107)102-72-84(50-66-108(102)122)98-38-14-26-76-22-4-8-34-94(76)98/h1-72H
InChIKeyDCSWHXKVMDEFLR-UHFFFAOYSA-N
MW1553.89 g/mol
LogP30.47
Rot. Bonds14

About N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine

N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine (PubChem CID 59501127) has the molecular formula C114H72N8 and a molecular weight of 1553.89 g/mol. Its IUPAC name is N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine.

Molecular Properties

Compound NameN-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine
PubChem CID59501127
Molecular FormulaC114H72N8
Molecular Weight1553.89 g/mol
Exact Mass1552.59
IUPAC NameN-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine
SMILESc1ccc2c(-c3ccc4c(c3)c3cc(-c5cccc6ccccc56)ccc3n4-c3ccc(N(c4ccc(-c5nc6ccccc6nc5-c5ccc(N(c6ccc(-n7c8ccc(-c9cccc%10ccccc9%10)cc8c8cc(-c9cccc%10ccccc9%10)ccc87)cc6)c6cccc7cccnc67)cc5)cc4)c4cccc5cccnc45)cc3)cccc2c1
InChIInChI=1S/C114H72N8/c1-5-31-91-73(19-1)23-11-35-95(91)81-47-63-105-99(69-81)100-70-82(96-36-12-24-74-20-2-6-32-92(74)96)48-64-106(100)121(105)89-59-55-87(56-60-89)119(109-41-15-27-77-29-17-67-115-111(77)109)85-51-43-79(44-52-85)113-114(118-104-40-10-9-39-103(104)117-113)80-45-53-86(54-46-80)120(110-42-16-28-78-30-18-68-116-112(78)110)88-57-61-90(62-58-88)122-107-65-49-83(97-37-13-25-75-21-3-7-33-93(75)97)71-101(107)102-72-84(50-66-108(102)122)98-38-14-26-76-22-4-8-34-94(76)98/h1-72H
InChIKeyDCSWHXKVMDEFLR-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-1-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-1-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-1-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
The IUPAC name of N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine (CID 59501127) is N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-1-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-1-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
The canonical SMILES for N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine is c1ccc2c(-c3ccc4c(c3)c3cc(-c5cccc6ccccc56)ccc3n4-c3ccc(N(c4ccc(-c5nc6ccccc6nc5-c5ccc(N(c6ccc(-n7c8ccc(-c9cccc%10ccccc9%10)cc8c8cc(-c9cccc%10ccccc9%10)ccc87)cc6)c6cccc7cccnc67)cc5)cc4)c4cccc5cccnc45)cc3)cccc2c1.
What is the InChIKey of N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
The InChIKey is DCSWHXKVMDEFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H72N8/c1-5-31-91-73(19-1)23-11-35-95(91)81-47-63-105-99(69-81)100-70-82(96-36-12-24-74-20-2-6-32-92(74)96)48-64-106(100)121(105)89-59-55-87(56-60-89)119(109-41-15-27-77-29-17-67-115-111(77)109)85-51-43-79(44-52-85)113-114(118-104-40-10-9-39-103(104)117-113)80-45-53-86(54-46-80)120(110-42-16-28-78-30-18-68-116-112(78)110)88-57-61-90(62-58-88)122-107-65-49-83(97-37-13-25-75-21-3-7-33-93(75)97)71-101(107)102-72-84(50-66-108(102)122)98-38-14-26-76-22-4-8-34-94(76)98/h1-72H.
What are the key properties of N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-1-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-1-ylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine is sourced from PubChem (CID 59501127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).