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

C44H28N2O — CID 164828014

IUPAC10-phenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc(-c5cccc6oc7c8ccccc8n(-c8ccccc8)c7c56)cc4)cccc32)cc1
InChIInChI=1S/C44H28N2O/c1-3-13-31(14-4-1)45-37-21-9-7-17-35(37)41-33(19-11-23-39(41)45)29-25-27-30(28-26-29)34-20-12-24-40-42(34)43-44(47-40)36-18-8-10-22-38(36)46(43)32-15-5-2-6-16-32/h1-28H
InChIKeyCSVHOFUWQFWLSF-UHFFFAOYSA-N
MW600.72 g/mol
LogP11.96
Rot. Bonds4

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

10-phenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]-[1]benzofuro[3,2-b]indole (PubChem CID 164828014) has the molecular formula C44H28N2O and a molecular weight of 600.72 g/mol. Its IUPAC name is 10-phenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]-[1]benzofuro[3,2-b]indole.

Molecular Properties

Compound Name10-phenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]-[1]benzofuro[3,2-b]indole
PubChem CID164828014
Molecular FormulaC44H28N2O
Molecular Weight600.72 g/mol
Exact Mass600.22
IUPAC Name10-phenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc(-c5cccc6oc7c8ccccc8n(-c8ccccc8)c7c56)cc4)cccc32)cc1
InChIInChI=1S/C44H28N2O/c1-3-13-31(14-4-1)45-37-21-9-7-17-35(37)41-33(19-11-23-39(41)45)29-25-27-30(28-26-29)34-20-12-24-40-42(34)43-44(47-40)36-18-8-10-22-38(36)46(43)32-15-5-2-6-16-32/h1-28H
InChIKeyCSVHOFUWQFWLSF-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

9-(4-dibenzofuran-2-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164827733
10-phenyl-9-[3-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828366
10-phenyl-9-[2-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828176
9-dibenzofuran-1-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828494
4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-1-yl]-9-phenylcarbazole
CID 166509837
10-phenyl-6-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-b]indole
CID 164828310
10-phenyl-9-[2-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828351
4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037163
4-(9-phenylcarbazol-1-yl)-9-(1-phenyldibenzofuran-4-yl)carbazole
CID 146490407
9-(4-dibenzofuran-4-ylphenyl)-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126580159
3-(4-dibenzofuran-4-ylphenyl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 118488562
9-(4-dibenzofuran-4-ylphenyl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126580156

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]-[1]benzofuro[3,2-b]indole?
The IUPAC name of 10-phenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]-[1]benzofuro[3,2-b]indole (CID 164828014) is 10-phenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]-[1]benzofuro[3,2-b]indole.
What is the SMILES notation for 10-phenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]-[1]benzofuro[3,2-b]indole?
The canonical SMILES for 10-phenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]-[1]benzofuro[3,2-b]indole is c1ccc(-n2c3ccccc3c3c(-c4ccc(-c5cccc6oc7c8ccccc8n(-c8ccccc8)c7c56)cc4)cccc32)cc1.
What is the InChIKey of 10-phenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]-[1]benzofuro[3,2-b]indole?
The InChIKey is CSVHOFUWQFWLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2O/c1-3-13-31(14-4-1)45-37-21-9-7-17-35(37)41-33(19-11-23-39(41)45)29-25-27-30(28-26-29)34-20-12-24-40-42(34)43-44(47-40)36-18-8-10-22-38(36)46(43)32-15-5-2-6-16-32/h1-28H.
What are the key properties of 10-phenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]-[1]benzofuro[3,2-b]indole?
10-phenyl-9-[4-(9-phenylcarbazol-4-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-9-[4-(9-phenylcarbazol-4-yl)phenyl]-[1]benzofuro[3,2-b]indole is sourced from PubChem (CID 164828014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).