7-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]-[1]benzofuro[2,3-b]carbazole

C38H25N3O — CID 90324751

IUPAC7-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESCn1c(-c2ccccc2)nc2ccc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)c3)cc21
InChIInChI=1S/C38H25N3O/c1-40-35-21-26(18-19-32(35)39-38(40)24-10-3-2-4-11-24)25-12-9-13-27(20-25)41-33-16-7-5-14-28(33)30-22-31-29-15-6-8-17-36(29)42-37(31)23-34(30)41/h2-23H,1H3
InChIKeyJBJCXACKFCYTNO-UHFFFAOYSA-N
MW539.64 g/mol
LogP9.90
Rot. Bonds3

About 7-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]-[1]benzofuro[2,3-b]carbazole

7-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 90324751) has the molecular formula C38H25N3O and a molecular weight of 539.64 g/mol. Its IUPAC name is 7-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
PubChem CID90324751
Molecular FormulaC38H25N3O
Molecular Weight539.64 g/mol
Exact Mass539.20
IUPAC Name7-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESCn1c(-c2ccccc2)nc2ccc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)c3)cc21
InChIInChI=1S/C38H25N3O/c1-40-35-21-26(18-19-32(35)39-38(40)24-10-3-2-4-11-24)25-12-9-13-27(20-25)41-33-16-7-5-14-28(33)30-22-31-29-15-6-8-17-36(29)42-37(31)23-34(30)41/h2-23H,1H3
InChIKeyJBJCXACKFCYTNO-UHFFFAOYSA-N
XLogP9.90
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.64
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-phenylcarbazol-9-yl)-[1]benzofuro[2,3-b]carbazole
CID 155006709
25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-11-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 140957385
9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-2,6-diphenylcarbazole
CID 166927950
9-(3-dibenzofuran-3-ylphenyl)-2-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171437863
9-(3-dibenzofuran-3-ylphenyl)-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 171438053
7-(3-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 164802716
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
7-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 134237088
2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163733499
5-dibenzofuran-3-yl-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-dibenzofuran-3-yl-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-dibenzofuran-3-yl-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 163829612
2-[7-(3-benzylphenyl)-[1]benzofuro[2,3-b]carbazol-9-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 145140998
9-[3-[4-dibenzofuran-3-yl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 149015024

Frequently Asked Questions

What is the IUPAC name of 7-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]-[1]benzofuro[2,3-b]carbazole (CID 90324751) is 7-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]-[1]benzofuro[2,3-b]carbazole is Cn1c(-c2ccccc2)nc2ccc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)c3)cc21.
What is the InChIKey of 7-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is JBJCXACKFCYTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3O/c1-40-35-21-26(18-19-32(35)39-38(40)24-10-3-2-4-11-24)25-12-9-13-27(20-25)41-33-16-7-5-14-28(33)30-22-31-29-15-6-8-17-36(29)42-37(31)23-34(30)41/h2-23H,1H3.
What are the key properties of 7-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
7-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 539.64 g/mol, XLogP of 9.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 90324751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).