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

C78H56N8 — CID 59501120

IUPACN-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dimethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(N(c2ccc(-c3nc4ccccc4nc3-c3ccc(N(c4ccc(-n5c6ccc(C)cc6c6cc(C)ccc65)cc4)c4cccc5cccnc45)cc3)cc2)c2cccc3cccnc23)cc1
InChIInChI=1S/C78H56N8/c1-49-19-39-69-63(45-49)64-46-50(2)20-40-70(64)85(69)61-35-31-59(32-36-61)83(73-17-7-11-53-13-9-43-79-75(53)73)57-27-23-55(24-28-57)77-78(82-68-16-6-5-15-67(68)81-77)56-25-29-58(30-26-56)84(74-18-8-12-54-14-10-44-80-76(54)74)60-33-37-62(38-34-60)86-71-41-21-51(3)47-65(71)66-48-52(4)22-42-72(66)86/h5-48H,1-4H3
InChIKeyMZPXRXRHYQQBDD-UHFFFAOYSA-N
MW1105.36 g/mol
LogP20.43
Rot. Bonds10

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

N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dimethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine (PubChem CID 59501120) has the molecular formula C78H56N8 and a molecular weight of 1105.36 g/mol. Its IUPAC name is N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dimethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine.

Molecular Properties

Compound NameN-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dimethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine
PubChem CID59501120
Molecular FormulaC78H56N8
Molecular Weight1105.36 g/mol
Exact Mass1104.46
IUPAC NameN-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dimethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(N(c2ccc(-c3nc4ccccc4nc3-c3ccc(N(c4ccc(-n5c6ccc(C)cc6c6cc(C)ccc65)cc4)c4cccc5cccnc45)cc3)cc2)c2cccc3cccnc23)cc1
InChIInChI=1S/C78H56N8/c1-49-19-39-69-63(45-49)64-46-50(2)20-40-70(64)85(69)61-35-31-59(32-36-61)83(73-17-7-11-53-13-9-43-79-75(53)73)57-27-23-55(24-28-57)77-78(82-68-16-6-5-15-67(68)81-77)56-25-29-58(30-26-56)84(74-18-8-12-54-14-10-44-80-76(54)74)60-33-37-62(38-34-60)86-71-41-21-51(3)47-65(71)66-48-52(4)22-42-72(66)86/h5-48H,1-4H3
InChIKeyMZPXRXRHYQQBDD-UHFFFAOYSA-N
XLogP20.43
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001105.36
LogP ≤ 520.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dimethylcarbazol-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-dimethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dimethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
The IUPAC name of N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dimethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine (CID 59501120) is N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dimethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine.
What is the SMILES notation for N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dimethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
The canonical SMILES for N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dimethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(N(c2ccc(-c3nc4ccccc4nc3-c3ccc(N(c4ccc(-n5c6ccc(C)cc6c6cc(C)ccc65)cc4)c4cccc5cccnc45)cc3)cc2)c2cccc3cccnc23)cc1.
What is the InChIKey of N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dimethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
The InChIKey is MZPXRXRHYQQBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H56N8/c1-49-19-39-69-63(45-49)64-46-50(2)20-40-70(64)85(69)61-35-31-59(32-36-61)83(73-17-7-11-53-13-9-43-79-75(53)73)57-27-23-55(24-28-57)77-78(82-68-16-6-5-15-67(68)81-77)56-25-29-58(30-26-56)84(74-18-8-12-54-14-10-44-80-76(54)74)60-33-37-62(38-34-60)86-71-41-21-51(3)47-65(71)66-48-52(4)22-42-72(66)86/h5-48H,1-4H3.
What are the key properties of N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dimethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dimethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine has a molecular weight of 1105.36 g/mol, XLogP of 20.43, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dimethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine is sourced from PubChem (CID 59501120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).