6-[3,5-bis(2-phenylbenzimidazolo[1,2-c]quinazolin-6-yl)phenyl]-2-phenylbenzimidazolo[1,2-c]quinazoline

C66H39N9 — CID 58894963

IUPAC6-[3,5-bis(2-phenylbenzimidazolo[1,2-c]quinazolin-6-yl)phenyl]-2-phenylbenzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-c2ccc3nc(-c4cc(-c5nc6ccc(-c7ccccc7)cc6c6nc7ccccc7n56)cc(-c5nc6ccc(-c7ccccc7)cc6c6nc7ccccc7n56)c4)n4c5ccccc5nc4c3c2)cc1
InChIInChI=1S/C66H39N9/c1-4-16-40(17-5-1)43-28-31-52-49(37-43)64-70-55-22-10-13-25-58(55)73(64)61(67-52)46-34-47(62-68-53-32-29-44(41-18-6-2-7-19-41)38-50(53)65-71-56-23-11-14-26-59(56)74(62)65)36-48(35-46)63-69-54-33-30-45(42-20-8-3-9-21-42)39-51(54)66-72-57-24-12-15-27-60(57)75(63)66/h1-39H
InChIKeyAYVUNPFSVKOUTL-UHFFFAOYSA-N
MW958.10 g/mol
LogP15.74
Rot. Bonds6

About 6-[3,5-bis(2-phenylbenzimidazolo[1,2-c]quinazolin-6-yl)phenyl]-2-phenylbenzimidazolo[1,2-c]quinazoline

6-[3,5-bis(2-phenylbenzimidazolo[1,2-c]quinazolin-6-yl)phenyl]-2-phenylbenzimidazolo[1,2-c]quinazoline (PubChem CID 58894963) has the molecular formula C66H39N9 and a molecular weight of 958.10 g/mol. Its IUPAC name is 6-[3,5-bis(2-phenylbenzimidazolo[1,2-c]quinazolin-6-yl)phenyl]-2-phenylbenzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[3,5-bis(2-phenylbenzimidazolo[1,2-c]quinazolin-6-yl)phenyl]-2-phenylbenzimidazolo[1,2-c]quinazoline
PubChem CID58894963
Molecular FormulaC66H39N9
Molecular Weight958.10 g/mol
Exact Mass957.33
IUPAC Name6-[3,5-bis(2-phenylbenzimidazolo[1,2-c]quinazolin-6-yl)phenyl]-2-phenylbenzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-c2ccc3nc(-c4cc(-c5nc6ccc(-c7ccccc7)cc6c6nc7ccccc7n56)cc(-c5nc6ccc(-c7ccccc7)cc6c6nc7ccccc7n56)c4)n4c5ccccc5nc4c3c2)cc1
InChIInChI=1S/C66H39N9/c1-4-16-40(17-5-1)43-28-31-52-49(37-43)64-70-55-22-10-13-25-58(55)73(64)61(67-52)46-34-47(62-68-53-32-29-44(41-18-6-2-7-19-41)38-50(53)65-71-56-23-11-14-26-59(56)74(62)65)36-48(35-46)63-69-54-33-30-45(42-20-8-3-9-21-42)39-51(54)66-72-57-24-12-15-27-60(57)75(63)66/h1-39H
InChIKeyAYVUNPFSVKOUTL-UHFFFAOYSA-N
XLogP15.74
TPSA90.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500958.10
LogP ≤ 515.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[3,5-bis(2-phenylbenzimidazolo[1,2-c]quinazolin-6-yl)phenyl]-2-phenylbenzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-[3,5-bis(2-phenylbenzimidazolo[1,2-c]quinazolin-6-yl)phenyl]-2-phenylbenzimidazolo[1,2-c]quinazoline (CID 58894963) is 6-[3,5-bis(2-phenylbenzimidazolo[1,2-c]quinazolin-6-yl)phenyl]-2-phenylbenzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-[3,5-bis(2-phenylbenzimidazolo[1,2-c]quinazolin-6-yl)phenyl]-2-phenylbenzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-[3,5-bis(2-phenylbenzimidazolo[1,2-c]quinazolin-6-yl)phenyl]-2-phenylbenzimidazolo[1,2-c]quinazoline is c1ccc(-c2ccc3nc(-c4cc(-c5nc6ccc(-c7ccccc7)cc6c6nc7ccccc7n56)cc(-c5nc6ccc(-c7ccccc7)cc6c6nc7ccccc7n56)c4)n4c5ccccc5nc4c3c2)cc1.
What is the InChIKey of 6-[3,5-bis(2-phenylbenzimidazolo[1,2-c]quinazolin-6-yl)phenyl]-2-phenylbenzimidazolo[1,2-c]quinazoline?
The InChIKey is AYVUNPFSVKOUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H39N9/c1-4-16-40(17-5-1)43-28-31-52-49(37-43)64-70-55-22-10-13-25-58(55)73(64)61(67-52)46-34-47(62-68-53-32-29-44(41-18-6-2-7-19-41)38-50(53)65-71-56-23-11-14-26-59(56)74(62)65)36-48(35-46)63-69-54-33-30-45(42-20-8-3-9-21-42)39-51(54)66-72-57-24-12-15-27-60(57)75(63)66/h1-39H.
What are the key properties of 6-[3,5-bis(2-phenylbenzimidazolo[1,2-c]quinazolin-6-yl)phenyl]-2-phenylbenzimidazolo[1,2-c]quinazoline?
6-[3,5-bis(2-phenylbenzimidazolo[1,2-c]quinazolin-6-yl)phenyl]-2-phenylbenzimidazolo[1,2-c]quinazoline has a molecular weight of 958.10 g/mol, XLogP of 15.74, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,5-bis(2-phenylbenzimidazolo[1,2-c]quinazolin-6-yl)phenyl]-2-phenylbenzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 58894963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).