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

C44H27NO2 — CID 164828366

IUPAC10-phenyl-9-[3-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-c2ccc3c(c2)oc2cc(-c4cccc(-c5cccc6oc7c8ccccc8n(-c8ccccc8)c7c56)c4)ccc23)cc1
InChIInChI=1S/C44H27NO2/c1-3-11-28(12-4-1)30-21-23-35-36-24-22-31(27-41(36)46-40(35)26-30)29-13-9-14-32(25-29)34-18-10-20-39-42(34)43-44(47-39)37-17-7-8-19-38(37)45(43)33-15-5-2-6-16-33/h1-27H
InChIKeyICQFAKAUXISHEQ-UHFFFAOYSA-N
MW601.71 g/mol
LogP12.43
Rot. Bonds4

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

10-phenyl-9-[3-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole (PubChem CID 164828366) has the molecular formula C44H27NO2 and a molecular weight of 601.71 g/mol. Its IUPAC name is 10-phenyl-9-[3-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole.

Molecular Properties

Compound Name10-phenyl-9-[3-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
PubChem CID164828366
Molecular FormulaC44H27NO2
Molecular Weight601.71 g/mol
Exact Mass601.20
IUPAC Name10-phenyl-9-[3-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-c2ccc3c(c2)oc2cc(-c4cccc(-c5cccc6oc7c8ccccc8n(-c8ccccc8)c7c56)c4)ccc23)cc1
InChIInChI=1S/C44H27NO2/c1-3-11-28(12-4-1)30-21-23-35-36-24-22-31(27-41(36)46-40(35)26-30)29-13-9-14-32(25-29)34-18-10-20-39-42(34)43-44(47-39)37-17-7-8-19-38(37)45(43)33-15-5-2-6-16-33/h1-27H
InChIKeyICQFAKAUXISHEQ-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-[2-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828351
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
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
12-[9-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole
CID 170277606
10-phenyl-8-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164827955
10-phenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828014
1-dibenzofuran-3-yl-9-phenylcarbazole
CID 137466533
9-dibenzofuran-1-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828494
9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-phenylcarbazole
CID 163676020
1-[7-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342651

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-9-[3-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole?
The IUPAC name of 10-phenyl-9-[3-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole (CID 164828366) is 10-phenyl-9-[3-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole.
What is the SMILES notation for 10-phenyl-9-[3-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole?
The canonical SMILES for 10-phenyl-9-[3-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole is c1ccc(-c2ccc3c(c2)oc2cc(-c4cccc(-c5cccc6oc7c8ccccc8n(-c8ccccc8)c7c56)c4)ccc23)cc1.
What is the InChIKey of 10-phenyl-9-[3-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole?
The InChIKey is ICQFAKAUXISHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NO2/c1-3-11-28(12-4-1)30-21-23-35-36-24-22-31(27-41(36)46-40(35)26-30)29-13-9-14-32(25-29)34-18-10-20-39-42(34)43-44(47-39)37-17-7-8-19-38(37)45(43)33-15-5-2-6-16-33/h1-27H.
What are the key properties of 10-phenyl-9-[3-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole?
10-phenyl-9-[3-(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-[3-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole is sourced from PubChem (CID 164828366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).