7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenyl-7,8-dihydrocarbazol-3-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-6,7-dihydro-[1]benzofuro[3,2-c]pyridine

C64H46N4O2 — CID 87277151

IUPAC7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenyl-7,8-dihydrocarbazol-3-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-6,7-dihydro-[1]benzofuro[3,2-c]pyridine
SMILESC1=CC2C(C=C1C1C=Cc3c(oc4ccncc34)C1)c1cc(-c3cccc(-c4ccc5c(c4)c4c(n5-c5ccccc5)CCC(C5=CC=C6c7cnccc7OC6C5)=C4)c3)ccc1N2c1ccccc1
InChIInChI=1S/C64H46N4O2/c1-3-10-47(11-4-1)67-57-22-16-41(31-51(57)53-33-43(18-24-59(53)67)45-14-20-49-55-37-65-28-26-61(55)69-63(49)35-45)39-8-7-9-40(30-39)42-17-23-58-52(32-42)54-34-44(19-25-60(54)68(58)48-12-5-2-6-13-48)46-15-21-50-56-38-66-29-27-62(56)70-64(50)36-46/h1-18,20-24,26-34,37-38,45,53,59,64H,19,25,35-36H2
InChIKeyKLSGYUXFKNWTTQ-UHFFFAOYSA-N
MW903.10 g/mol
LogP14.99
Rot. Bonds6

About 7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenyl-7,8-dihydrocarbazol-3-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-6,7-dihydro-[1]benzofuro[3,2-c]pyridine

7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenyl-7,8-dihydrocarbazol-3-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-6,7-dihydro-[1]benzofuro[3,2-c]pyridine (PubChem CID 87277151) has the molecular formula C64H46N4O2 and a molecular weight of 903.10 g/mol. Its IUPAC name is 7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenyl-7,8-dihydrocarbazol-3-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-6,7-dihydro-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenyl-7,8-dihydrocarbazol-3-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-6,7-dihydro-[1]benzofuro[3,2-c]pyridine
PubChem CID87277151
Molecular FormulaC64H46N4O2
Molecular Weight903.10 g/mol
Exact Mass902.36
IUPAC Name7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenyl-7,8-dihydrocarbazol-3-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-6,7-dihydro-[1]benzofuro[3,2-c]pyridine
SMILESC1=CC2C(C=C1C1C=Cc3c(oc4ccncc34)C1)c1cc(-c3cccc(-c4ccc5c(c4)c4c(n5-c5ccccc5)CCC(C5=CC=C6c7cnccc7OC6C5)=C4)c3)ccc1N2c1ccccc1
InChIInChI=1S/C64H46N4O2/c1-3-10-47(11-4-1)67-57-22-16-41(31-51(57)53-33-43(18-24-59(53)67)45-14-20-49-55-37-65-28-26-61(55)69-63(49)35-45)39-8-7-9-40(30-39)42-17-23-58-52(32-42)54-34-44(19-25-60(54)68(58)48-12-5-2-6-13-48)46-15-21-50-56-38-66-29-27-62(56)70-64(50)36-46/h1-18,20-24,26-34,37-38,45,53,59,64H,19,25,35-36H2
InChIKeyKLSGYUXFKNWTTQ-UHFFFAOYSA-N
XLogP14.99
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.10
LogP ≤ 514.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenyl-7,8-dihydrocarbazol-3-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-6,7-dihydro-[1]benzofuro[3,2-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenyl-7,8-dihydrocarbazol-3-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-6,7-dihydro-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenyl-7,8-dihydrocarbazol-3-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-6,7-dihydro-[1]benzofuro[3,2-c]pyridine (CID 87277151) is 7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenyl-7,8-dihydrocarbazol-3-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-6,7-dihydro-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenyl-7,8-dihydrocarbazol-3-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-6,7-dihydro-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenyl-7,8-dihydrocarbazol-3-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-6,7-dihydro-[1]benzofuro[3,2-c]pyridine is C1=CC2C(C=C1C1C=Cc3c(oc4ccncc34)C1)c1cc(-c3cccc(-c4ccc5c(c4)c4c(n5-c5ccccc5)CCC(C5=CC=C6c7cnccc7OC6C5)=C4)c3)ccc1N2c1ccccc1.
What is the InChIKey of 7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenyl-7,8-dihydrocarbazol-3-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-6,7-dihydro-[1]benzofuro[3,2-c]pyridine?
The InChIKey is KLSGYUXFKNWTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N4O2/c1-3-10-47(11-4-1)67-57-22-16-41(31-51(57)53-33-43(18-24-59(53)67)45-14-20-49-55-37-65-28-26-61(55)69-63(49)35-45)39-8-7-9-40(30-39)42-17-23-58-52(32-42)54-34-44(19-25-60(54)68(58)48-12-5-2-6-13-48)46-15-21-50-56-38-66-29-27-62(56)70-64(50)36-46/h1-18,20-24,26-34,37-38,45,53,59,64H,19,25,35-36H2.
What are the key properties of 7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenyl-7,8-dihydrocarbazol-3-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-6,7-dihydro-[1]benzofuro[3,2-c]pyridine?
7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenyl-7,8-dihydrocarbazol-3-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-6,7-dihydro-[1]benzofuro[3,2-c]pyridine has a molecular weight of 903.10 g/mol, XLogP of 14.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenyl-7,8-dihydrocarbazol-3-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-6,7-dihydro-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 87277151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).