5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole

C41H26N2O — CID 118502718

IUPAC5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)c2)cc1
InChIInChI=1S/C41H26N2O/c1-3-11-27(12-4-1)30-25-35(28-13-5-2-6-14-28)42-36(26-30)29-19-21-31(22-20-29)43-37-17-9-7-16-34(37)40-38(43)24-23-33-32-15-8-10-18-39(32)44-41(33)40/h1-26H
InChIKeyTXCDTHCSDLOIIK-UHFFFAOYSA-N
MW562.67 g/mol
LogP11.08
Rot. Bonds4

About 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole

5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 118502718) has the molecular formula C41H26N2O and a molecular weight of 562.67 g/mol. Its IUPAC name is 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID118502718
Molecular FormulaC41H26N2O
Molecular Weight562.67 g/mol
Exact Mass562.20
IUPAC Name5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)c2)cc1
InChIInChI=1S/C41H26N2O/c1-3-11-27(12-4-1)30-25-35(28-13-5-2-6-14-28)42-36(26-30)29-19-21-31(22-20-29)43-37-17-9-7-16-34(37)40-38(43)24-23-33-32-15-8-10-18-39(32)44-41(33)40/h1-26H
InChIKeyTXCDTHCSDLOIIK-UHFFFAOYSA-N
XLogP11.08
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 511.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118154439
5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
5-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 161186083
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 157374919
N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N,4-diphenylaniline
CID 130230934
4-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole
CID 118154043
10-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
CID 140957222
17-phenyl-34-(4-phenylphenyl)-6,23-dioxa-17,34-diazanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(33),22(30),24,26,28,31-pentadecaene
CID 149105992
5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-c]carbazole
CID 118154108
11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146543268
2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223669

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole (CID 118502718) is 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)c2)cc1.
What is the InChIKey of 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is TXCDTHCSDLOIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O/c1-3-11-27(12-4-1)30-25-35(28-13-5-2-6-14-28)42-36(26-30)29-19-21-31(22-20-29)43-37-17-9-7-16-34(37)40-38(43)24-23-33-32-15-8-10-18-39(32)44-41(33)40/h1-26H.
What are the key properties of 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole?
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 562.67 g/mol, XLogP of 11.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 118502718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).