10-phenyl-9-[2-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole

C44H27NO2 — CID 164828351

IUPAC10-phenyl-9-[2-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-c2ccc3c(c2)oc2cc(-c4ccccc4-c4cccc5oc6c7ccccc7n(-c7ccccc7)c6c45)ccc23)cc1
InChIInChI=1S/C44H27NO2/c1-3-12-28(13-4-1)29-22-24-34-35-25-23-30(27-41(35)46-40(34)26-29)32-16-7-8-17-33(32)36-19-11-21-39-42(36)43-44(47-39)37-18-9-10-20-38(37)45(43)31-14-5-2-6-15-31/h1-27H
InChIKeyISEYRQJYLQGSTJ-UHFFFAOYSA-N
MW601.71 g/mol
LogP12.43
Rot. Bonds4

About 10-phenyl-9-[2-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole

10-phenyl-9-[2-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole (PubChem CID 164828351) has the molecular formula C44H27NO2 and a molecular weight of 601.71 g/mol. Its IUPAC name is 10-phenyl-9-[2-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole.

Molecular Properties

Compound Name10-phenyl-9-[2-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
PubChem CID164828351
Molecular FormulaC44H27NO2
Molecular Weight601.71 g/mol
Exact Mass601.20
IUPAC Name10-phenyl-9-[2-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-c2ccc3c(c2)oc2cc(-c4ccccc4-c4cccc5oc6c7ccccc7n(-c7ccccc7)c6c45)ccc23)cc1
InChIInChI=1S/C44H27NO2/c1-3-12-28(13-4-1)29-22-24-34-35-25-23-30(27-41(35)46-40(34)26-29)32-16-7-8-17-33(32)36-19-11-21-39-42(36)43-44(47-39)37-18-9-10-20-38(37)45(43)31-14-5-2-6-15-31/h1-27H
InChIKeyISEYRQJYLQGSTJ-UHFFFAOYSA-N
XLogP12.43
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.71
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-phenyl-9-[3-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828366
7-(2-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828561
10-phenyl-9-[2-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828176
9-(4-dibenzofuran-2-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164827733
7-dibenzofuran-4-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828575
9-dibenzofuran-1-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828494
10-phenyl-8-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164827955
1-dibenzofuran-3-yl-9-phenylcarbazole
CID 137466533
8-(2-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828376
9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-phenylcarbazole
CID 163676020
4-[9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]carbazol-1-yl]-9-phenylcarbazole
CID 166510001
1-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-9-phenylcarbazole
CID 170192632

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-9-[2-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole?
The IUPAC name of 10-phenyl-9-[2-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole (CID 164828351) is 10-phenyl-9-[2-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole.
What is the SMILES notation for 10-phenyl-9-[2-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole?
The canonical SMILES for 10-phenyl-9-[2-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole is c1ccc(-c2ccc3c(c2)oc2cc(-c4ccccc4-c4cccc5oc6c7ccccc7n(-c7ccccc7)c6c45)ccc23)cc1.
What is the InChIKey of 10-phenyl-9-[2-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole?
The InChIKey is ISEYRQJYLQGSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NO2/c1-3-12-28(13-4-1)29-22-24-34-35-25-23-30(27-41(35)46-40(34)26-29)32-16-7-8-17-33(32)36-19-11-21-39-42(36)43-44(47-39)37-18-9-10-20-38(37)45(43)31-14-5-2-6-15-31/h1-27H.
What are the key properties of 10-phenyl-9-[2-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole?
10-phenyl-9-[2-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole has a molecular weight of 601.71 g/mol, XLogP of 12.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-9-[2-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole is sourced from PubChem (CID 164828351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).