8-[8-[3-[3,6-bis[2-(1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole

C65H39N9O — CID 58099790

IUPAC8-[8-[3-[3,6-bis[2-(1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole
SMILESc1ccc(-n2c3ccncc3c3cc(-c4cccc5c4oc4ccc(-c6cccc(-n7c8ccc(-c9ccccc9-c9ncncn9)cc8c8cc(-c9ccccc9-c9ncncn9)ccc87)c6)cc45)ccc32)cc1
InChIInChI=1S/C65H39N9O/c1-2-11-45(12-3-1)73-60-26-22-44(34-55(60)57-35-66-29-28-61(57)73)49-18-9-19-50-56-31-41(23-27-62(56)75-63(49)50)40-10-8-13-46(30-40)74-58-24-20-42(47-14-4-6-16-51(47)64-69-36-67-37-70-64)32-53(58)54-33-43(21-25-59(54)74)48-15-5-7-17-52(48)65-71-38-68-39-72-65/h1-39H
InChIKeyLOJIQZQMQALITD-UHFFFAOYSA-N
MW962.09 g/mol
LogP15.55
Rot. Bonds8

About 8-[8-[3-[3,6-bis[2-(1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole

8-[8-[3-[3,6-bis[2-(1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole (PubChem CID 58099790) has the molecular formula C65H39N9O and a molecular weight of 962.09 g/mol. Its IUPAC name is 8-[8-[3-[3,6-bis[2-(1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole.

Molecular Properties

Compound Name8-[8-[3-[3,6-bis[2-(1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole
PubChem CID58099790
Molecular FormulaC65H39N9O
Molecular Weight962.09 g/mol
Exact Mass961.33
IUPAC Name8-[8-[3-[3,6-bis[2-(1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole
SMILESc1ccc(-n2c3ccncc3c3cc(-c4cccc5c4oc4ccc(-c6cccc(-n7c8ccc(-c9ccccc9-c9ncncn9)cc8c8cc(-c9ccccc9-c9ncncn9)ccc87)c6)cc45)ccc32)cc1
InChIInChI=1S/C65H39N9O/c1-2-11-45(12-3-1)73-60-26-22-44(34-55(60)57-35-66-29-28-61(57)73)49-18-9-19-50-56-31-41(23-27-62(56)75-63(49)50)40-10-8-13-46(30-40)74-58-24-20-42(47-14-4-6-16-51(47)64-69-36-67-37-70-64)32-53(58)54-33-43(21-25-59(54)74)48-15-5-7-17-52(48)65-71-38-68-39-72-65/h1-39H
InChIKeyLOJIQZQMQALITD-UHFFFAOYSA-N
XLogP15.55
TPSA113.23 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500962.09
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 8-[8-[3-[3,6-bis[2-(1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[8-[3-[3,6-bis[2-(1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole?
The IUPAC name of 8-[8-[3-[3,6-bis[2-(1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole (CID 58099790) is 8-[8-[3-[3,6-bis[2-(1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole.
What is the SMILES notation for 8-[8-[3-[3,6-bis[2-(1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole?
The canonical SMILES for 8-[8-[3-[3,6-bis[2-(1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole is c1ccc(-n2c3ccncc3c3cc(-c4cccc5c4oc4ccc(-c6cccc(-n7c8ccc(-c9ccccc9-c9ncncn9)cc8c8cc(-c9ccccc9-c9ncncn9)ccc87)c6)cc45)ccc32)cc1.
What is the InChIKey of 8-[8-[3-[3,6-bis[2-(1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole?
The InChIKey is LOJIQZQMQALITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H39N9O/c1-2-11-45(12-3-1)73-60-26-22-44(34-55(60)57-35-66-29-28-61(57)73)49-18-9-19-50-56-31-41(23-27-62(56)75-63(49)50)40-10-8-13-46(30-40)74-58-24-20-42(47-14-4-6-16-51(47)64-69-36-67-37-70-64)32-53(58)54-33-43(21-25-59(54)74)48-15-5-7-17-52(48)65-71-38-68-39-72-65/h1-39H.
What are the key properties of 8-[8-[3-[3,6-bis[2-(1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole?
8-[8-[3-[3,6-bis[2-(1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole has a molecular weight of 962.09 g/mol, XLogP of 15.55, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[8-[3-[3,6-bis[2-(1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]dibenzofuran-4-yl]-5-phenylpyrido[4,3-b]indole is sourced from PubChem (CID 58099790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).