10-phenyl-8-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]indole

C44H28N2O — CID 164828306

IUPAC10-phenyl-8-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6oc7c8ccccc8n(-c8ccccc8)c7c6c5)cc4)ccc32)cc1
InChIInChI=1S/C44H28N2O/c1-3-11-33(12-4-1)45-39-17-9-7-15-35(39)37-27-31(23-25-41(37)45)29-19-21-30(22-20-29)32-24-26-42-38(28-32)43-44(47-42)36-16-8-10-18-40(36)46(43)34-13-5-2-6-14-34/h1-28H
InChIKeyCNSJDARSOHHPEW-UHFFFAOYSA-N
MW600.72 g/mol
LogP11.96
Rot. Bonds4

About 10-phenyl-8-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]indole

10-phenyl-8-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]indole (PubChem CID 164828306) has the molecular formula C44H28N2O and a molecular weight of 600.72 g/mol. Its IUPAC name is 10-phenyl-8-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]indole.

Molecular Properties

Compound Name10-phenyl-8-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
PubChem CID164828306
Molecular FormulaC44H28N2O
Molecular Weight600.72 g/mol
Exact Mass600.22
IUPAC Name10-phenyl-8-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6oc7c8ccccc8n(-c8ccccc8)c7c6c5)cc4)ccc32)cc1
InChIInChI=1S/C44H28N2O/c1-3-11-33(12-4-1)45-39-17-9-7-15-35(39)37-27-31(23-25-41(37)45)29-19-21-30(22-20-29)32-24-26-42-38(28-32)43-44(47-42)36-16-8-10-18-40(36)46(43)34-13-5-2-6-14-34/h1-28H
InChIKeyCNSJDARSOHHPEW-UHFFFAOYSA-N
XLogP11.96
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.72
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-phenyl-8-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164827955
10-phenyl-8-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828239
12-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166509852
3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 134223766
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;12-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 160760258
12-[4-(4-carbazol-9-ylphenyl)phenyl]-2-[4-[11-[4-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazol-2-yl]phenyl]-9-phenyl-[1]benzofuro[2,3-a]carbazole
CID 167193369
9-[4-(8-phenyldibenzofuran-2-yl)phenyl]carbazole
CID 58536267
3-(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)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 134223675
9-phenyl-3-[3-(6-phenyldibenzofuran-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492344

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-8-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]indole?
The IUPAC name of 10-phenyl-8-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]indole (CID 164828306) is 10-phenyl-8-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]indole.
What is the SMILES notation for 10-phenyl-8-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]indole?
The canonical SMILES for 10-phenyl-8-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]indole is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6oc7c8ccccc8n(-c8ccccc8)c7c6c5)cc4)ccc32)cc1.
What is the InChIKey of 10-phenyl-8-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]indole?
The InChIKey is CNSJDARSOHHPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2O/c1-3-11-33(12-4-1)45-39-17-9-7-15-35(39)37-27-31(23-25-41(37)45)29-19-21-30(22-20-29)32-24-26-42-38(28-32)43-44(47-42)36-16-8-10-18-40(36)46(43)34-13-5-2-6-14-34/h1-28H.
What are the key properties of 10-phenyl-8-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]indole?
10-phenyl-8-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]indole has a molecular weight of 600.72 g/mol, XLogP of 11.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-8-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]indole is sourced from PubChem (CID 164828306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).