9-[4-[4-[3-[4-[4-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)phenyl]carbazole

C80H52N4 — CID 59702564

IUPAC9-[4-[4-[3-[4-[4-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)ccc3-c3ccc(-c4nc5ccccc5nc4-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C80H52N4/c1-3-17-53(18-4-1)55-31-35-59(36-32-55)71-51-63(83-75-27-13-7-21-67(75)68-22-8-14-28-76(68)83)47-49-65(71)57-39-43-61(44-40-57)79-80(82-74-26-12-11-25-73(74)81-79)62-45-41-58(42-46-62)66-50-48-64(84-77-29-15-9-23-69(77)70-24-10-16-30-78(70)84)52-72(66)60-37-33-56(34-38-60)54-19-5-2-6-20-54/h1-52H
InChIKeyNLEPZTTVRVRESI-UHFFFAOYSA-N
MW1069.32 g/mol
LogP21.16
Rot. Bonds10

About 9-[4-[4-[3-[4-[4-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)phenyl]carbazole

9-[4-[4-[3-[4-[4-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)phenyl]carbazole (PubChem CID 59702564) has the molecular formula C80H52N4 and a molecular weight of 1069.32 g/mol. Its IUPAC name is 9-[4-[4-[3-[4-[4-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[3-[4-[4-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)phenyl]carbazole
PubChem CID59702564
Molecular FormulaC80H52N4
Molecular Weight1069.32 g/mol
Exact Mass1068.42
IUPAC Name9-[4-[4-[3-[4-[4-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)ccc3-c3ccc(-c4nc5ccccc5nc4-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C80H52N4/c1-3-17-53(18-4-1)55-31-35-59(36-32-55)71-51-63(83-75-27-13-7-21-67(75)68-22-8-14-28-76(68)83)47-49-65(71)57-39-43-61(44-40-57)79-80(82-74-26-12-11-25-73(74)81-79)62-45-41-58(42-46-62)66-50-48-64(84-77-29-15-9-23-69(77)70-24-10-16-30-78(70)84)52-72(66)60-37-33-56(34-38-60)54-19-5-2-6-20-54/h1-52H
InChIKeyNLEPZTTVRVRESI-UHFFFAOYSA-N
XLogP21.16
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.32
LogP ≤ 521.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-[4-[3-[4-[4-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)phenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[4-[4-[3-[4-(4-carbazol-9-yl-2-phenylphenyl)phenyl]quinoxalin-2-yl]phenyl]-3-phenylphenyl]carbazole
CID 59702533
9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 59489317
9-[3-(4-carbazol-9-yl-2-phenylphenyl)phenyl]carbazole
CID 170059841
9-[4-[2-(4-carbazol-9-ylphenyl)-4-(2,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 58943802
9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 59702563
2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;2-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline
CID 164980722
9-[4-[4-(4-carbazol-9-yl-2-phenylphenyl)phenyl]phenyl]carbazole;9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;9-[4-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 158730760
3-carbazol-9-yl-9-[3-phenyl-4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 139315826
9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-4-phenylphenyl]carbazole
CID 166504730
3-carbazol-9-yl-9-[3-(2,5-diphenylphenyl)-4-phenylphenyl]carbazole
CID 146872026
9-[4-[2-(4-carbazol-9-ylphenyl)-4-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 58943813
3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 159534786

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[3-[4-[4-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)phenyl]carbazole?
The IUPAC name of 9-[4-[4-[3-[4-[4-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)phenyl]carbazole (CID 59702564) is 9-[4-[4-[3-[4-[4-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[3-[4-[4-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)phenyl]carbazole?
The canonical SMILES for 9-[4-[4-[3-[4-[4-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)phenyl]carbazole is c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)ccc3-c3ccc(-c4nc5ccccc5nc4-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 9-[4-[4-[3-[4-[4-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)phenyl]carbazole?
The InChIKey is NLEPZTTVRVRESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H52N4/c1-3-17-53(18-4-1)55-31-35-59(36-32-55)71-51-63(83-75-27-13-7-21-67(75)68-22-8-14-28-76(68)83)47-49-65(71)57-39-43-61(44-40-57)79-80(82-74-26-12-11-25-73(74)81-79)62-45-41-58(42-46-62)66-50-48-64(84-77-29-15-9-23-69(77)70-24-10-16-30-78(70)84)52-72(66)60-37-33-56(34-38-60)54-19-5-2-6-20-54/h1-52H.
What are the key properties of 9-[4-[4-[3-[4-[4-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)phenyl]carbazole?
9-[4-[4-[3-[4-[4-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)phenyl]carbazole has a molecular weight of 1069.32 g/mol, XLogP of 21.16, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[3-[4-[4-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 59702564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).