5-[8-(5-phenylpyrido[3,2-b]indol-8-yl)-2-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole

C73H44N8O — CID 58099535

IUPAC5-[8-(5-phenylpyrido[3,2-b]indol-8-yl)-2-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole
SMILESc1ccc(-n2c3ccc(-c4ccc5oc6c(-n7c8ccc(-c9ccccc9-c9ccccn9)cc8c8ncccc87)cc(-n7c8ccc(-c9ccccc9-c9ccccn9)cc8c8ncccc87)cc6c5c4)cc3c3ncccc32)cc1
InChIInChI=1S/C73H44N8O/c1-2-15-49(16-3-1)79-62-30-26-45(40-57(62)70-65(79)23-12-36-76-70)46-29-33-69-55(39-46)56-43-50(80-63-31-27-47(41-58(63)71-66(80)24-13-37-77-71)51-17-4-6-19-53(51)60-21-8-10-34-74-60)44-68(73(56)82-69)81-64-32-28-48(42-59(64)72-67(81)25-14-38-78-72)52-18-5-7-20-54(52)61-22-9-11-35-75-61/h1-44H
InChIKeyBNIYDTDXBAJQSR-UHFFFAOYSA-N
MW1049.21 g/mol
LogP18.19
Rot. Bonds8

About 5-[8-(5-phenylpyrido[3,2-b]indol-8-yl)-2-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole

5-[8-(5-phenylpyrido[3,2-b]indol-8-yl)-2-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole (PubChem CID 58099535) has the molecular formula C73H44N8O and a molecular weight of 1049.21 g/mol. Its IUPAC name is 5-[8-(5-phenylpyrido[3,2-b]indol-8-yl)-2-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[8-(5-phenylpyrido[3,2-b]indol-8-yl)-2-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole
PubChem CID58099535
Molecular FormulaC73H44N8O
Molecular Weight1049.21 g/mol
Exact Mass1048.36
IUPAC Name5-[8-(5-phenylpyrido[3,2-b]indol-8-yl)-2-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole
SMILESc1ccc(-n2c3ccc(-c4ccc5oc6c(-n7c8ccc(-c9ccccc9-c9ccccn9)cc8c8ncccc87)cc(-n7c8ccc(-c9ccccc9-c9ccccn9)cc8c8ncccc87)cc6c5c4)cc3c3ncccc32)cc1
InChIInChI=1S/C73H44N8O/c1-2-15-49(16-3-1)79-62-30-26-45(40-57(62)70-65(79)23-12-36-76-70)46-29-33-69-55(39-46)56-43-50(80-63-31-27-47(41-58(63)71-66(80)24-13-37-77-71)51-17-4-6-19-53(51)60-21-8-10-34-74-60)44-68(73(56)82-69)81-64-32-28-48(42-59(64)72-67(81)25-14-38-78-72)52-18-5-7-20-54(52)61-22-9-11-35-75-61/h1-44H
InChIKeyBNIYDTDXBAJQSR-UHFFFAOYSA-N
XLogP18.19
TPSA92.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.21
LogP ≤ 518.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[8-(5-phenylpyrido[3,2-b]indol-8-yl)-2-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(5-phenylpyrido[3,2-b]indol-8-yl)-2-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole?
The IUPAC name of 5-[8-(5-phenylpyrido[3,2-b]indol-8-yl)-2-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole (CID 58099535) is 5-[8-(5-phenylpyrido[3,2-b]indol-8-yl)-2-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole.
What is the SMILES notation for 5-[8-(5-phenylpyrido[3,2-b]indol-8-yl)-2-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole?
The canonical SMILES for 5-[8-(5-phenylpyrido[3,2-b]indol-8-yl)-2-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole is c1ccc(-n2c3ccc(-c4ccc5oc6c(-n7c8ccc(-c9ccccc9-c9ccccn9)cc8c8ncccc87)cc(-n7c8ccc(-c9ccccc9-c9ccccn9)cc8c8ncccc87)cc6c5c4)cc3c3ncccc32)cc1.
What is the InChIKey of 5-[8-(5-phenylpyrido[3,2-b]indol-8-yl)-2-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole?
The InChIKey is BNIYDTDXBAJQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H44N8O/c1-2-15-49(16-3-1)79-62-30-26-45(40-57(62)70-65(79)23-12-36-76-70)46-29-33-69-55(39-46)56-43-50(80-63-31-27-47(41-58(63)71-66(80)24-13-37-77-71)51-17-4-6-19-53(51)60-21-8-10-34-74-60)44-68(73(56)82-69)81-64-32-28-48(42-59(64)72-67(81)25-14-38-78-72)52-18-5-7-20-54(52)61-22-9-11-35-75-61/h1-44H.
What are the key properties of 5-[8-(5-phenylpyrido[3,2-b]indol-8-yl)-2-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole?
5-[8-(5-phenylpyrido[3,2-b]indol-8-yl)-2-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole has a molecular weight of 1049.21 g/mol, XLogP of 18.19, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(5-phenylpyrido[3,2-b]indol-8-yl)-2-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole is sourced from PubChem (CID 58099535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).