7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole

C42H25NO2 — CID 171612092

IUPAC7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2ccc3oc4ccc(-c5ccc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)cc5)cc4c3c2)cc1
InChIInChI=1S/C42H25NO2/c1-2-8-26(9-3-1)28-16-20-40-34(22-28)35-23-29(17-21-41(35)44-40)27-14-18-30(19-15-27)43-37-12-6-4-10-31(37)33-24-36-32-11-5-7-13-39(32)45-42(36)25-38(33)43/h1-25H
InChIKeyBNDJWCIVSDVSCL-UHFFFAOYSA-N
MW575.67 g/mol
LogP11.92
Rot. Bonds3

About 7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole

7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 171612092) has the molecular formula C42H25NO2 and a molecular weight of 575.67 g/mol. Its IUPAC name is 7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
PubChem CID171612092
Molecular FormulaC42H25NO2
Molecular Weight575.67 g/mol
Exact Mass575.19
IUPAC Name7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2ccc3oc4ccc(-c5ccc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)cc5)cc4c3c2)cc1
InChIInChI=1S/C42H25NO2/c1-2-8-26(9-3-1)28-16-20-40-34(22-28)35-23-29(17-21-41(35)44-40)27-14-18-30(19-15-27)43-37-12-6-4-10-31(37)33-24-36-32-11-5-7-13-39(32)45-42(36)25-38(33)43/h1-25H
InChIKeyBNDJWCIVSDVSCL-UHFFFAOYSA-N
XLogP11.92
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-[4-(4-carbazol-9-ylphenyl)phenyl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 167192760
N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-phenylaniline
CID 118405567
7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 134223336
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288
9-[4-(8-phenyldibenzofuran-2-yl)phenyl]carbazole
CID 58536267
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
10-dibenzofuran-3-yl-23-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 121324824
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223413
11-dibenzofuran-2-yl-5-[4-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 171414707
5-dibenzofuran-3-yl-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 122594976
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102

Frequently Asked Questions

What is the IUPAC name of 7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole (CID 171612092) is 7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole is c1ccc(-c2ccc3oc4ccc(-c5ccc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)cc5)cc4c3c2)cc1.
What is the InChIKey of 7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is BNDJWCIVSDVSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NO2/c1-2-8-26(9-3-1)28-16-20-40-34(22-28)35-23-29(17-21-41(35)44-40)27-14-18-30(19-15-27)43-37-12-6-4-10-31(37)33-24-36-32-11-5-7-13-39(32)45-42(36)25-38(33)43/h1-25H.
What are the key properties of 7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 575.67 g/mol, XLogP of 11.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 171612092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).