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

C76H52N8 — CID 59501129

IUPACN-[4-(3-methylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-methylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-c3nc4ccccc4nc3-c3ccc(N(c4ccc(-n5c6ccccc6c6cc(C)ccc65)cc4)c4cccc5cccnc45)cc3)cc2)c2cccc3cccnc23)cc1
InChIInChI=1S/C76H52N8/c1-49-25-43-69-63(47-49)61-17-3-7-21-67(61)83(69)59-39-35-57(36-40-59)81(71-23-9-13-51-15-11-45-77-73(51)71)55-31-27-53(28-32-55)75-76(80-66-20-6-5-19-65(66)79-75)54-29-33-56(34-30-54)82(72-24-10-14-52-16-12-46-78-74(52)72)58-37-41-60(42-38-58)84-68-22-8-4-18-62(68)64-48-50(2)26-44-70(64)84/h3-48H,1-2H3
InChIKeyHMNZSJCFTGDPBU-UHFFFAOYSA-N
MW1077.31 g/mol
LogP19.81
Rot. Bonds10

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

N-[4-(3-methylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-methylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine (PubChem CID 59501129) has the molecular formula C76H52N8 and a molecular weight of 1077.31 g/mol. Its IUPAC name is N-[4-(3-methylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-methylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine.

Molecular Properties

Compound NameN-[4-(3-methylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-methylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine
PubChem CID59501129
Molecular FormulaC76H52N8
Molecular Weight1077.31 g/mol
Exact Mass1076.43
IUPAC NameN-[4-(3-methylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-methylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-c3nc4ccccc4nc3-c3ccc(N(c4ccc(-n5c6ccccc6c6cc(C)ccc65)cc4)c4cccc5cccnc45)cc3)cc2)c2cccc3cccnc23)cc1
InChIInChI=1S/C76H52N8/c1-49-25-43-69-63(47-49)61-17-3-7-21-67(61)83(69)59-39-35-57(36-40-59)81(71-23-9-13-51-15-11-45-77-73(51)71)55-31-27-53(28-32-55)75-76(80-66-20-6-5-19-65(66)79-75)54-29-33-56(34-30-54)82(72-24-10-14-52-16-12-46-78-74(52)72)58-37-41-60(42-38-58)84-68-22-8-4-18-62(68)64-48-50(2)26-44-70(64)84/h3-48H,1-2H3
InChIKeyHMNZSJCFTGDPBU-UHFFFAOYSA-N
XLogP19.81
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001077.31
LogP ≤ 519.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[4-(3-methylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-methylcarbazol-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-methylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-methylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
The IUPAC name of N-[4-(3-methylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-methylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine (CID 59501129) is N-[4-(3-methylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-methylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine.
What is the SMILES notation for N-[4-(3-methylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-methylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
The canonical SMILES for N-[4-(3-methylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-methylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine is Cc1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-c3nc4ccccc4nc3-c3ccc(N(c4ccc(-n5c6ccccc6c6cc(C)ccc65)cc4)c4cccc5cccnc45)cc3)cc2)c2cccc3cccnc23)cc1.
What is the InChIKey of N-[4-(3-methylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-methylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
The InChIKey is HMNZSJCFTGDPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H52N8/c1-49-25-43-69-63(47-49)61-17-3-7-21-67(61)83(69)59-39-35-57(36-40-59)81(71-23-9-13-51-15-11-45-77-73(51)71)55-31-27-53(28-32-55)75-76(80-66-20-6-5-19-65(66)79-75)54-29-33-56(34-30-54)82(72-24-10-14-52-16-12-46-78-74(52)72)58-37-41-60(42-38-58)84-68-22-8-4-18-62(68)64-48-50(2)26-44-70(64)84/h3-48H,1-2H3.
What are the key properties of N-[4-(3-methylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-methylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
N-[4-(3-methylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-methylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine has a molecular weight of 1077.31 g/mol, XLogP of 19.81, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3-methylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine is sourced from PubChem (CID 59501129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).