N-(4-carbazol-9-yl-2,5-dimethylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-2,5-dimethyl-N-quinolin-8-ylanilino)phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine

C78H56N8 — CID 59501070

IUPACN-(4-carbazol-9-yl-2,5-dimethylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-2,5-dimethyl-N-quinolin-8-ylanilino)phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine
SMILESCc1cc(-n2c3ccccc3c3ccccc32)c(C)cc1N(c1ccc(-c2nc3ccccc3nc2-c2ccc(N(c3cc(C)c(-n4c5ccccc5c5ccccc54)cc3C)c3cccc4cccnc34)cc2)cc1)c1cccc2cccnc12
InChIInChI=1S/C78H56N8/c1-49-47-73(85-65-29-11-5-23-59(65)60-24-6-12-30-66(60)85)51(3)45-71(49)83(69-33-15-19-53-21-17-43-79-75(53)69)57-39-35-55(36-40-57)77-78(82-64-28-10-9-27-63(64)81-77)56-37-41-58(42-38-56)84(70-34-16-20-54-22-18-44-80-76(54)70)72-46-52(4)74(48-50(72)2)86-67-31-13-7-25-61(67)62-26-8-14-32-68(62)86/h5-48H,1-4H3
InChIKeyUMHNSHFPSHDUTN-UHFFFAOYSA-N
MW1105.36 g/mol
LogP20.43
Rot. Bonds10

About N-(4-carbazol-9-yl-2,5-dimethylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-2,5-dimethyl-N-quinolin-8-ylanilino)phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine

N-(4-carbazol-9-yl-2,5-dimethylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-2,5-dimethyl-N-quinolin-8-ylanilino)phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine (PubChem CID 59501070) has the molecular formula C78H56N8 and a molecular weight of 1105.36 g/mol. Its IUPAC name is N-(4-carbazol-9-yl-2,5-dimethylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-2,5-dimethyl-N-quinolin-8-ylanilino)phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-yl-2,5-dimethylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-2,5-dimethyl-N-quinolin-8-ylanilino)phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine
PubChem CID59501070
Molecular FormulaC78H56N8
Molecular Weight1105.36 g/mol
Exact Mass1104.46
IUPAC NameN-(4-carbazol-9-yl-2,5-dimethylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-2,5-dimethyl-N-quinolin-8-ylanilino)phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine
SMILESCc1cc(-n2c3ccccc3c3ccccc32)c(C)cc1N(c1ccc(-c2nc3ccccc3nc2-c2ccc(N(c3cc(C)c(-n4c5ccccc5c5ccccc54)cc3C)c3cccc4cccnc34)cc2)cc1)c1cccc2cccnc12
InChIInChI=1S/C78H56N8/c1-49-47-73(85-65-29-11-5-23-59(65)60-24-6-12-30-66(60)85)51(3)45-71(49)83(69-33-15-19-53-21-17-43-79-75(53)69)57-39-35-55(36-40-57)77-78(82-64-28-10-9-27-63(64)81-77)56-37-41-58(42-38-56)84(70-34-16-20-54-22-18-44-80-76(54)70)72-46-52(4)74(48-50(72)2)86-67-31-13-7-25-61(67)62-26-8-14-32-68(62)86/h5-48H,1-4H3
InChIKeyUMHNSHFPSHDUTN-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-carbazol-9-yl-2,5-dimethylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-2,5-dimethyl-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-carbazol-9-yl-2,5-dimethylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-2,5-dimethyl-N-quinolin-8-ylanilino)phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
The IUPAC name of N-(4-carbazol-9-yl-2,5-dimethylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-2,5-dimethyl-N-quinolin-8-ylanilino)phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine (CID 59501070) is N-(4-carbazol-9-yl-2,5-dimethylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-2,5-dimethyl-N-quinolin-8-ylanilino)phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine.
What is the SMILES notation for N-(4-carbazol-9-yl-2,5-dimethylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-2,5-dimethyl-N-quinolin-8-ylanilino)phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
The canonical SMILES for N-(4-carbazol-9-yl-2,5-dimethylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-2,5-dimethyl-N-quinolin-8-ylanilino)phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine is Cc1cc(-n2c3ccccc3c3ccccc32)c(C)cc1N(c1ccc(-c2nc3ccccc3nc2-c2ccc(N(c3cc(C)c(-n4c5ccccc5c5ccccc54)cc3C)c3cccc4cccnc34)cc2)cc1)c1cccc2cccnc12.
What is the InChIKey of N-(4-carbazol-9-yl-2,5-dimethylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-2,5-dimethyl-N-quinolin-8-ylanilino)phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
The InChIKey is UMHNSHFPSHDUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H56N8/c1-49-47-73(85-65-29-11-5-23-59(65)60-24-6-12-30-66(60)85)51(3)45-71(49)83(69-33-15-19-53-21-17-43-79-75(53)69)57-39-35-55(36-40-57)77-78(82-64-28-10-9-27-63(64)81-77)56-37-41-58(42-38-56)84(70-34-16-20-54-22-18-44-80-76(54)70)72-46-52(4)74(48-50(72)2)86-67-31-13-7-25-61(67)62-26-8-14-32-68(62)86/h5-48H,1-4H3.
What are the key properties of N-(4-carbazol-9-yl-2,5-dimethylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-2,5-dimethyl-N-quinolin-8-ylanilino)phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
N-(4-carbazol-9-yl-2,5-dimethylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-2,5-dimethyl-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-carbazol-9-yl-2,5-dimethylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-2,5-dimethyl-N-quinolin-8-ylanilino)phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine is sourced from PubChem (CID 59501070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).