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

C62H40N4 — CID 118067271

IUPAC3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7nc(-c8ccccc8)c8ccccc8n7)cc6)cc5)ccc43)cc2)cc1
InChIInChI=1S/C62H40N4/c1-3-13-41(14-4-1)42-27-33-49(34-28-42)65-57-21-11-8-17-51(57)54-39-47(31-37-59(54)65)43-23-25-44(26-24-43)48-32-38-60-55(40-48)52-18-9-12-22-58(52)66(60)50-35-29-46(30-36-50)62-63-56-20-10-7-19-53(56)61(64-62)45-15-5-2-6-16-45/h1-40H
InChIKeyAEQXAJOSEWRPJG-UHFFFAOYSA-N
MW841.03 g/mol
LogP16.16
Rot. Bonds7

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

3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole (PubChem CID 118067271) has the molecular formula C62H40N4 and a molecular weight of 841.03 g/mol. Its IUPAC name is 3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
PubChem CID118067271
Molecular FormulaC62H40N4
Molecular Weight841.03 g/mol
Exact Mass840.33
IUPAC Name3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7nc(-c8ccccc8)c8ccccc8n7)cc6)cc5)ccc43)cc2)cc1
InChIInChI=1S/C62H40N4/c1-3-13-41(14-4-1)42-27-33-49(34-28-42)65-57-21-11-8-17-51(57)54-39-47(31-37-59(54)65)43-23-25-44(26-24-43)48-32-38-60-55(40-48)52-18-9-12-22-58(52)66(60)50-35-29-46(30-36-50)62-63-56-20-10-7-19-53(56)61(64-62)45-15-5-2-6-16-45/h1-40H
InChIKeyAEQXAJOSEWRPJG-UHFFFAOYSA-N
XLogP16.16
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.03
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067272
3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole
CID 145159167
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 67701976
3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129286
3-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole
CID 118103152
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[3-[2-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 122677106
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 121444205
2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
CID 122524404
3-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129276
2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145158976
9-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-[4-[3-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134236954

Frequently Asked Questions

What is the IUPAC name of 3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The IUPAC name of 3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole (CID 118067271) is 3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The canonical SMILES for 3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7nc(-c8ccccc8)c8ccccc8n7)cc6)cc5)ccc43)cc2)cc1.
What is the InChIKey of 3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The InChIKey is AEQXAJOSEWRPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N4/c1-3-13-41(14-4-1)42-27-33-49(34-28-42)65-57-21-11-8-17-51(57)54-39-47(31-37-59(54)65)43-23-25-44(26-24-43)48-32-38-60-55(40-48)52-18-9-12-22-58(52)66(60)50-35-29-46(30-36-50)62-63-56-20-10-7-19-53(56)61(64-62)45-15-5-2-6-16-45/h1-40H.
What are the key properties of 3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole has a molecular weight of 841.03 g/mol, XLogP of 16.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole is sourced from PubChem (CID 118067271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).