10-benzo[b]carbazol-5-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole

C52H30N4O — CID 146375631

IUPAC10-benzo[b]carbazol-5-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cccc2cc3c(cc12)c1ccccc1n3-c1nc(-c2ccc3oc4ccccc4c3c2)c2ccccc2n1
InChIInChI=1S/C52H30N4O/c1-2-13-32-28-47-40(26-31(32)12-1)35-15-4-8-20-44(35)55(47)46-22-11-14-33-29-48-41(30-39(33)46)36-16-5-9-21-45(36)56(48)52-53-43-19-7-3-18-38(43)51(54-52)34-24-25-50-42(27-34)37-17-6-10-23-49(37)57-50/h1-30H
InChIKeyBIJWZXAGZIXRNX-UHFFFAOYSA-N
MW726.84 g/mol
LogP13.70
Rot. Bonds3

About 10-benzo[b]carbazol-5-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole

10-benzo[b]carbazol-5-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole (PubChem CID 146375631) has the molecular formula C52H30N4O and a molecular weight of 726.84 g/mol. Its IUPAC name is 10-benzo[b]carbazol-5-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name10-benzo[b]carbazol-5-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
PubChem CID146375631
Molecular FormulaC52H30N4O
Molecular Weight726.84 g/mol
Exact Mass726.24
IUPAC Name10-benzo[b]carbazol-5-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cccc2cc3c(cc12)c1ccccc1n3-c1nc(-c2ccc3oc4ccccc4c3c2)c2ccccc2n1
InChIInChI=1S/C52H30N4O/c1-2-13-32-28-47-40(26-31(32)12-1)35-15-4-8-20-44(35)55(47)46-22-11-14-33-29-48-41(30-39(33)46)36-16-5-9-21-45(36)56(48)52-53-43-19-7-3-18-38(43)51(54-52)34-24-25-50-42(27-34)37-17-6-10-23-49(37)57-50/h1-30H
InChIKeyBIJWZXAGZIXRNX-UHFFFAOYSA-N
XLogP13.70
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.84
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 139361573
5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 139361734
3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 130355720
7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzofuran-2-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375343
3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole
CID 118067224
7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 146375444
4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142568017
2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90129211
25-(4-dibenzofuran-2-ylquinazolin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene
CID 134235598
7-carbazol-9-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-4-yl)quinazolin-2-yl]benzo[b]carbazole
CID 159689558
9-(10-dibenzofuran-2-yltetracen-1-yl)carbazole;ethane
CID 145009292
5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole
CID 138623408

Frequently Asked Questions

What is the IUPAC name of 10-benzo[b]carbazol-5-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole?
The IUPAC name of 10-benzo[b]carbazol-5-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole (CID 146375631) is 10-benzo[b]carbazol-5-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 10-benzo[b]carbazol-5-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole?
The canonical SMILES for 10-benzo[b]carbazol-5-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cccc2cc3c(cc12)c1ccccc1n3-c1nc(-c2ccc3oc4ccccc4c3c2)c2ccccc2n1.
What is the InChIKey of 10-benzo[b]carbazol-5-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole?
The InChIKey is BIJWZXAGZIXRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4O/c1-2-13-32-28-47-40(26-31(32)12-1)35-15-4-8-20-44(35)55(47)46-22-11-14-33-29-48-41(30-39(33)46)36-16-5-9-21-45(36)56(48)52-53-43-19-7-3-18-38(43)51(54-52)34-24-25-50-42(27-34)37-17-6-10-23-49(37)57-50/h1-30H.
What are the key properties of 10-benzo[b]carbazol-5-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole?
10-benzo[b]carbazol-5-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole has a molecular weight of 726.84 g/mol, XLogP of 13.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzo[b]carbazol-5-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 146375631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).