3-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole

C50H31N3O2 — CID 165168936

IUPAC3-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3c4ccc(-c5ccc(-n6c7ccccc7c7cc(N8c9ccccc9Oc9ccccc98)ccc76)cc5)cc4oc32)cc1
InChIInChI=1S/C50H31N3O2/c1-2-12-34(13-3-1)53-42-17-7-5-15-38(42)49-39-28-24-33(30-48(39)55-50(49)53)32-22-25-35(26-23-32)51-41-16-6-4-14-37(41)40-31-36(27-29-43(40)51)52-44-18-8-10-20-46(44)54-47-21-11-9-19-45(47)52/h1-31H
InChIKeyJZAMANSKJPRGDX-UHFFFAOYSA-N
MW705.82 g/mol
LogP13.87
Rot. Bonds4

About 3-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole

3-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole (PubChem CID 165168936) has the molecular formula C50H31N3O2 and a molecular weight of 705.82 g/mol. Its IUPAC name is 3-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole.

Molecular Properties

Compound Name3-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
PubChem CID165168936
Molecular FormulaC50H31N3O2
Molecular Weight705.82 g/mol
Exact Mass705.24
IUPAC Name3-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3c4ccc(-c5ccc(-n6c7ccccc7c7cc(N8c9ccccc9Oc9ccccc98)ccc76)cc5)cc4oc32)cc1
InChIInChI=1S/C50H31N3O2/c1-2-12-34(13-3-1)53-42-17-7-5-15-38(42)49-39-28-24-33(30-48(39)55-50(49)53)32-22-25-35(26-23-32)51-41-16-6-4-14-37(41)40-31-36(27-29-43(40)51)52-44-18-8-10-20-46(44)54-47-21-11-9-19-45(47)52/h1-31H
InChIKeyJZAMANSKJPRGDX-UHFFFAOYSA-N
XLogP13.87
TPSA35.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.82
LogP ≤ 513.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165169158
3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168729
2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168644
3-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165169014
3-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168575
6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]indole
CID 165169108
6-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole
CID 165168964
6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole
CID 167550552
6-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole
CID 165168869
9-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 167587667
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961
6-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]indole
CID 165168862

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The IUPAC name of 3-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole (CID 165168936) is 3-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole.
What is the SMILES notation for 3-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The canonical SMILES for 3-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole is c1ccc(-n2c3ccccc3c3c4ccc(-c5ccc(-n6c7ccccc7c7cc(N8c9ccccc9Oc9ccccc98)ccc76)cc5)cc4oc32)cc1.
What is the InChIKey of 3-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The InChIKey is JZAMANSKJPRGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3O2/c1-2-12-34(13-3-1)53-42-17-7-5-15-38(42)49-39-28-24-33(30-48(39)55-50(49)53)32-22-25-35(26-23-32)51-41-16-6-4-14-37(41)40-31-36(27-29-43(40)51)52-44-18-8-10-20-46(44)54-47-21-11-9-19-45(47)52/h1-31H.
What are the key properties of 3-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
3-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole has a molecular weight of 705.82 g/mol, XLogP of 13.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 165168936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).