10-benzo[b]carbazol-5-yl-5-[2-(2-ethyl-3-phenylphenyl)quinazolin-4-yl]benzo[b]carbazole

C54H36N4 — CID 146374711

IUPAC10-benzo[b]carbazol-5-yl-5-[2-(2-ethyl-3-phenylphenyl)quinazolin-4-yl]benzo[b]carbazole
SMILESCCc1c(-c2ccccc2)cccc1-c1nc(-n2c3ccccc3c3cc4c(-n5c6ccccc6c6cc7ccccc7cc65)cccc4cc32)c2ccccc2n1
InChIInChI=1S/C54H36N4/c1-2-38-39(34-16-4-3-5-17-34)24-15-25-42(38)53-55-47-26-11-8-23-43(47)54(56-53)58-49-28-13-10-22-41(49)46-33-44-37(32-52(46)58)20-14-29-50(44)57-48-27-12-9-21-40(48)45-30-35-18-6-7-19-36(35)31-51(45)57/h3-33H,2H2,1H3
InChIKeyWBEIWYFCWBNUCL-UHFFFAOYSA-N
MW740.91 g/mol
LogP14.03
Rot. Bonds5

About 10-benzo[b]carbazol-5-yl-5-[2-(2-ethyl-3-phenylphenyl)quinazolin-4-yl]benzo[b]carbazole

10-benzo[b]carbazol-5-yl-5-[2-(2-ethyl-3-phenylphenyl)quinazolin-4-yl]benzo[b]carbazole (PubChem CID 146374711) has the molecular formula C54H36N4 and a molecular weight of 740.91 g/mol. Its IUPAC name is 10-benzo[b]carbazol-5-yl-5-[2-(2-ethyl-3-phenylphenyl)quinazolin-4-yl]benzo[b]carbazole.

Molecular Properties

Compound Name10-benzo[b]carbazol-5-yl-5-[2-(2-ethyl-3-phenylphenyl)quinazolin-4-yl]benzo[b]carbazole
PubChem CID146374711
Molecular FormulaC54H36N4
Molecular Weight740.91 g/mol
Exact Mass740.29
IUPAC Name10-benzo[b]carbazol-5-yl-5-[2-(2-ethyl-3-phenylphenyl)quinazolin-4-yl]benzo[b]carbazole
SMILESCCc1c(-c2ccccc2)cccc1-c1nc(-n2c3ccccc3c3cc4c(-n5c6ccccc6c6cc7ccccc7cc65)cccc4cc32)c2ccccc2n1
InChIInChI=1S/C54H36N4/c1-2-38-39(34-16-4-3-5-17-34)24-15-25-42(38)53-55-47-26-11-8-23-43(47)54(56-53)58-49-28-13-10-22-41(49)46-33-44-37(32-52(46)58)20-14-29-50(44)57-48-27-12-9-21-40(48)45-30-35-18-6-7-19-36(35)31-51(45)57/h3-33H,2H2,1H3
InChIKeyWBEIWYFCWBNUCL-UHFFFAOYSA-N
XLogP14.03
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)quinazolin-4-yl]benzo[b]carbazole
CID 164707669
5-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 134603616
5-(2-dibenzothiophen-1-ylquinazolin-4-yl)benzo[b]carbazole
CID 139361333
16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-1-yl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 138654354
9-benzo[b]carbazol-5-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;10-benzo[b]carbazol-5-yl-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 158803382
5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603586
2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole
CID 146540295
5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole
CID 139361806
5-[2-(9,9-dimethylfluoren-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 139361545
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylnaphthalen-1-yl]benzo[b]carbazole
CID 155450400
10-benzo[b]carbazol-5-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375388
5-[6-(4-phenylquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 164707859

Frequently Asked Questions

What is the IUPAC name of 10-benzo[b]carbazol-5-yl-5-[2-(2-ethyl-3-phenylphenyl)quinazolin-4-yl]benzo[b]carbazole?
The IUPAC name of 10-benzo[b]carbazol-5-yl-5-[2-(2-ethyl-3-phenylphenyl)quinazolin-4-yl]benzo[b]carbazole (CID 146374711) is 10-benzo[b]carbazol-5-yl-5-[2-(2-ethyl-3-phenylphenyl)quinazolin-4-yl]benzo[b]carbazole.
What is the SMILES notation for 10-benzo[b]carbazol-5-yl-5-[2-(2-ethyl-3-phenylphenyl)quinazolin-4-yl]benzo[b]carbazole?
The canonical SMILES for 10-benzo[b]carbazol-5-yl-5-[2-(2-ethyl-3-phenylphenyl)quinazolin-4-yl]benzo[b]carbazole is CCc1c(-c2ccccc2)cccc1-c1nc(-n2c3ccccc3c3cc4c(-n5c6ccccc6c6cc7ccccc7cc65)cccc4cc32)c2ccccc2n1.
What is the InChIKey of 10-benzo[b]carbazol-5-yl-5-[2-(2-ethyl-3-phenylphenyl)quinazolin-4-yl]benzo[b]carbazole?
The InChIKey is WBEIWYFCWBNUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4/c1-2-38-39(34-16-4-3-5-17-34)24-15-25-42(38)53-55-47-26-11-8-23-43(47)54(56-53)58-49-28-13-10-22-41(49)46-33-44-37(32-52(46)58)20-14-29-50(44)57-48-27-12-9-21-40(48)45-30-35-18-6-7-19-36(35)31-51(45)57/h3-33H,2H2,1H3.
What are the key properties of 10-benzo[b]carbazol-5-yl-5-[2-(2-ethyl-3-phenylphenyl)quinazolin-4-yl]benzo[b]carbazole?
10-benzo[b]carbazol-5-yl-5-[2-(2-ethyl-3-phenylphenyl)quinazolin-4-yl]benzo[b]carbazole has a molecular weight of 740.91 g/mol, XLogP of 14.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzo[b]carbazol-5-yl-5-[2-(2-ethyl-3-phenylphenyl)quinazolin-4-yl]benzo[b]carbazole is sourced from PubChem (CID 146374711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).