5-[4-dibenzofuran-2-yl-2-(3,6-diphenylcarbazol-9-yl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole

C74H44N8O — CID 146250432

IUPAC5-[4-dibenzofuran-2-yl-2-(3,6-diphenylcarbazol-9-yl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2nc(-n3c4ccccc4c4cnccc43)c(-n3c4ccccc4c4cnccc43)c(-c3ccc4oc5ccccc5c4c3)c2-n2c3ccccc3c3cnccc32)cc1
InChIInChI=1S/C74H44N8O/c1-3-15-45(16-4-1)47-27-30-63-54(39-47)55-40-48(46-17-5-2-6-18-46)28-31-64(55)82(63)74-72(80-61-24-12-8-20-51(61)58-43-76-37-34-66(58)80)70(49-29-32-69-56(41-49)53-22-10-14-26-68(53)83-69)71(79-60-23-11-7-19-50(60)57-42-75-36-33-65(57)79)73(78-74)81-62-25-13-9-21-52(62)59-44-77-38-35-67(59)81/h1-44H
InChIKeyUNPVIEQVBIIGBQ-UHFFFAOYSA-N
MW1061.22 g/mol
LogP18.56
Rot. Bonds7

About 5-[4-dibenzofuran-2-yl-2-(3,6-diphenylcarbazol-9-yl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole

5-[4-dibenzofuran-2-yl-2-(3,6-diphenylcarbazol-9-yl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole (PubChem CID 146250432) has the molecular formula C74H44N8O and a molecular weight of 1061.22 g/mol. Its IUPAC name is 5-[4-dibenzofuran-2-yl-2-(3,6-diphenylcarbazol-9-yl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[4-dibenzofuran-2-yl-2-(3,6-diphenylcarbazol-9-yl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole
PubChem CID146250432
Molecular FormulaC74H44N8O
Molecular Weight1061.22 g/mol
Exact Mass1060.36
IUPAC Name5-[4-dibenzofuran-2-yl-2-(3,6-diphenylcarbazol-9-yl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2nc(-n3c4ccccc4c4cnccc43)c(-n3c4ccccc4c4cnccc43)c(-c3ccc4oc5ccccc5c4c3)c2-n2c3ccccc3c3cnccc32)cc1
InChIInChI=1S/C74H44N8O/c1-3-15-45(16-4-1)47-27-30-63-54(39-47)55-40-48(46-17-5-2-6-18-46)28-31-64(55)82(63)74-72(80-61-24-12-8-20-51(61)58-43-76-37-34-66(58)80)70(49-29-32-69-56(41-49)53-22-10-14-26-68(53)83-69)71(79-60-23-11-7-19-50(60)57-42-75-36-33-65(57)79)73(78-74)81-62-25-13-9-21-52(62)59-44-77-38-35-67(59)81/h1-44H
InChIKeyUNPVIEQVBIIGBQ-UHFFFAOYSA-N
XLogP18.56
TPSA84.42 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.22
LogP ≤ 518.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[4-dibenzofuran-2-yl-2-(3,6-diphenylcarbazol-9-yl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-dibenzofuran-2-yl-2-(3,6-diphenylcarbazol-9-yl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole?
The IUPAC name of 5-[4-dibenzofuran-2-yl-2-(3,6-diphenylcarbazol-9-yl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole (CID 146250432) is 5-[4-dibenzofuran-2-yl-2-(3,6-diphenylcarbazol-9-yl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-[4-dibenzofuran-2-yl-2-(3,6-diphenylcarbazol-9-yl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-[4-dibenzofuran-2-yl-2-(3,6-diphenylcarbazol-9-yl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2nc(-n3c4ccccc4c4cnccc43)c(-n3c4ccccc4c4cnccc43)c(-c3ccc4oc5ccccc5c4c3)c2-n2c3ccccc3c3cnccc32)cc1.
What is the InChIKey of 5-[4-dibenzofuran-2-yl-2-(3,6-diphenylcarbazol-9-yl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole?
The InChIKey is UNPVIEQVBIIGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H44N8O/c1-3-15-45(16-4-1)47-27-30-63-54(39-47)55-40-48(46-17-5-2-6-18-46)28-31-64(55)82(63)74-72(80-61-24-12-8-20-51(61)58-43-76-37-34-66(58)80)70(49-29-32-69-56(41-49)53-22-10-14-26-68(53)83-69)71(79-60-23-11-7-19-50(60)57-42-75-36-33-65(57)79)73(78-74)81-62-25-13-9-21-52(62)59-44-77-38-35-67(59)81/h1-44H.
What are the key properties of 5-[4-dibenzofuran-2-yl-2-(3,6-diphenylcarbazol-9-yl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole?
5-[4-dibenzofuran-2-yl-2-(3,6-diphenylcarbazol-9-yl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole has a molecular weight of 1061.22 g/mol, XLogP of 18.56, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-dibenzofuran-2-yl-2-(3,6-diphenylcarbazol-9-yl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole is sourced from PubChem (CID 146250432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).