3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole

C62H38N4O — CID 138475060

IUPAC3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc(-c6cccc7oc8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c67)ccc54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C62H38N4O/c1-3-14-39(15-4-1)40-26-28-41(29-27-40)61-49-20-7-10-22-53(49)63-62(64-61)66-55-24-12-9-19-48(55)51-38-44(31-34-57(51)66)46-21-13-25-59-60(46)52-37-43(32-35-58(52)67-59)42-30-33-56-50(36-42)47-18-8-11-23-54(47)65(56)45-16-5-2-6-17-45/h1-38H
InChIKeyQIKCNRFXAXMQHV-UHFFFAOYSA-N
MW855.01 g/mol
LogP16.39
Rot. Bonds6

About 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole

3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole (PubChem CID 138475060) has the molecular formula C62H38N4O and a molecular weight of 855.01 g/mol. Its IUPAC name is 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole.

Molecular Properties

Compound Name3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
PubChem CID138475060
Molecular FormulaC62H38N4O
Molecular Weight855.01 g/mol
Exact Mass854.30
IUPAC Name3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc(-c6cccc7oc8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c67)ccc54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C62H38N4O/c1-3-14-39(15-4-1)40-26-28-41(29-27-40)61-49-20-7-10-22-53(49)63-62(64-61)66-55-24-12-9-19-48(55)51-38-44(31-34-57(51)66)46-21-13-25-59-60(46)52-37-43(32-35-58(52)67-59)42-30-33-56-50(36-42)47-18-8-11-23-54(47)65(56)45-16-5-2-6-17-45/h1-38H
InChIKeyQIKCNRFXAXMQHV-UHFFFAOYSA-N
XLogP16.39
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.01
LogP ≤ 516.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 138475136
18-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 138475063
10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 138475168
3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 130355720
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole
CID 138475173
7,7-dimethyl-2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole;7,7-dimethyl-5-phenyl-2-[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]indeno[2,1-b]carbazole;2-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 158685021
9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole
CID 134594831
2-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475085
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(4-phenylquinolin-2-yl)carbazole
CID 138475094
3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154
2-[8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]dibenzofuran-1-yl]-9-phenylcarbazole
CID 138475052

Frequently Asked Questions

What is the IUPAC name of 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole?
The IUPAC name of 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole (CID 138475060) is 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole.
What is the SMILES notation for 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole?
The canonical SMILES for 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc(-c6cccc7oc8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c67)ccc54)nc4ccccc34)cc2)cc1.
What is the InChIKey of 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole?
The InChIKey is QIKCNRFXAXMQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N4O/c1-3-14-39(15-4-1)40-26-28-41(29-27-40)61-49-20-7-10-22-53(49)63-62(64-61)66-55-24-12-9-19-48(55)51-38-44(31-34-57(51)66)46-21-13-25-59-60(46)52-37-43(32-35-58(52)67-59)42-30-33-56-50(36-42)47-18-8-11-23-54(47)65(56)45-16-5-2-6-17-45/h1-38H.
What are the key properties of 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole?
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole has a molecular weight of 855.01 g/mol, XLogP of 16.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole is sourced from PubChem (CID 138475060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).