7-benzo[c]carbazol-7-yl-5-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole

C64H39N5 — CID 146374669

IUPAC7-benzo[c]carbazol-7-yl-5-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4nc(-c5ccc(-n6c7ccccc7c7cc8cccc(-n9c%10ccccc%10c%10c%11ccccc%11ccc%109)c8cc76)cc5)nc5ccccc45)cccc32)cc1
InChIInChI=1S/C64H39N5/c1-2-18-43(19-3-1)67-55-28-12-8-23-48(55)62-50(25-15-31-58(62)67)63-47-22-6-10-26-53(47)65-64(66-63)41-32-35-44(36-33-41)68-54-27-11-7-21-46(54)52-38-42-17-14-30-57(51(42)39-60(52)68)69-56-29-13-9-24-49(56)61-45-20-5-4-16-40(45)34-37-59(61)69/h1-39H
InChIKeyWJVRNVDWYVJKAK-UHFFFAOYSA-N
MW878.05 g/mol
LogP16.56
Rot. Bonds5

About 7-benzo[c]carbazol-7-yl-5-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole

7-benzo[c]carbazol-7-yl-5-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole (PubChem CID 146374669) has the molecular formula C64H39N5 and a molecular weight of 878.05 g/mol. Its IUPAC name is 7-benzo[c]carbazol-7-yl-5-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name7-benzo[c]carbazol-7-yl-5-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole
PubChem CID146374669
Molecular FormulaC64H39N5
Molecular Weight878.05 g/mol
Exact Mass877.32
IUPAC Name7-benzo[c]carbazol-7-yl-5-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4nc(-c5ccc(-n6c7ccccc7c7cc8cccc(-n9c%10ccccc%10c%10c%11ccccc%11ccc%109)c8cc76)cc5)nc5ccccc45)cccc32)cc1
InChIInChI=1S/C64H39N5/c1-2-18-43(19-3-1)67-55-28-12-8-23-48(55)62-50(25-15-31-58(62)67)63-47-22-6-10-26-53(47)65-64(66-63)41-32-35-44(36-33-41)68-54-27-11-7-21-46(54)52-38-42-17-14-30-57(51(42)39-60(52)68)69-56-29-13-9-24-49(56)61-45-20-5-4-16-40(45)34-37-59(61)69/h1-39H
InChIKeyWJVRNVDWYVJKAK-UHFFFAOYSA-N
XLogP16.56
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.05
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 138533154
7-carbazol-9-yl-5-[5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 146374777
8-benzo[c]carbazol-7-yl-5-[3-(4-fluoranthen-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146374843
7-benzo[c]carbazol-7-yl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 155477625
6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-1-phenylpyrrolo[3,2-c]carbazole
CID 118317393
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130351461
5-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621051
2-[2-(6-benzo[b]carbazol-5-ylnaphthalen-2-yl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;3-[2-(4-benzo[b]carbazol-5-ylphenyl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;5-[3-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole
CID 160512960
2-benzo[b]carbazol-5-yl-5-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 146375622
1-benzo[b]carbazol-5-yl-5-[4-(4-triphenylen-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 146375454
11-[4-(4,5-diphenylquinazolin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 138533190
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;10-(9-phenylcarbazol-3-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 163803963

Frequently Asked Questions

What is the IUPAC name of 7-benzo[c]carbazol-7-yl-5-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole?
The IUPAC name of 7-benzo[c]carbazol-7-yl-5-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole (CID 146374669) is 7-benzo[c]carbazol-7-yl-5-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole.
What is the SMILES notation for 7-benzo[c]carbazol-7-yl-5-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole?
The canonical SMILES for 7-benzo[c]carbazol-7-yl-5-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3c(-c4nc(-c5ccc(-n6c7ccccc7c7cc8cccc(-n9c%10ccccc%10c%10c%11ccccc%11ccc%109)c8cc76)cc5)nc5ccccc45)cccc32)cc1.
What is the InChIKey of 7-benzo[c]carbazol-7-yl-5-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole?
The InChIKey is WJVRNVDWYVJKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39N5/c1-2-18-43(19-3-1)67-55-28-12-8-23-48(55)62-50(25-15-31-58(62)67)63-47-22-6-10-26-53(47)65-64(66-63)41-32-35-44(36-33-41)68-54-27-11-7-21-46(54)52-38-42-17-14-30-57(51(42)39-60(52)68)69-56-29-13-9-24-49(56)61-45-20-5-4-16-40(45)34-37-59(61)69/h1-39H.
What are the key properties of 7-benzo[c]carbazol-7-yl-5-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole?
7-benzo[c]carbazol-7-yl-5-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole has a molecular weight of 878.05 g/mol, XLogP of 16.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzo[c]carbazol-7-yl-5-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 146374669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).