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

C66H39N9 — CID 58894944

IUPAC6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline
SMILESc1cc(-c2cc(-c3cccc(-c4nc5ccccc5c5nc6ccccc6n45)c3)cc(-c3cccc(-c4nc5ccccc5c5nc6ccccc6n45)c3)c2)cc(-c2nc3ccccc3c3nc4ccccc4n23)c1
InChIInChI=1S/C66H39N9/c1-4-25-52-49(22-1)64-70-55-28-7-10-31-58(55)73(64)61(67-52)43-19-13-16-40(34-43)46-37-47(41-17-14-20-44(35-41)62-68-53-26-5-2-23-50(53)65-71-56-29-8-11-32-59(56)74(62)65)39-48(38-46)42-18-15-21-45(36-42)63-69-54-27-6-3-24-51(54)66-72-57-30-9-12-33-60(57)75(63)66/h1-39H
InChIKeyTXJANSAZVWNXFR-UHFFFAOYSA-N
MW958.10 g/mol
LogP15.74
Rot. Bonds6

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

6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline (PubChem CID 58894944) has the molecular formula C66H39N9 and a molecular weight of 958.10 g/mol. Its IUPAC name is 6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline
PubChem CID58894944
Molecular FormulaC66H39N9
Molecular Weight958.10 g/mol
Exact Mass957.33
IUPAC Name6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline
SMILESc1cc(-c2cc(-c3cccc(-c4nc5ccccc5c5nc6ccccc6n45)c3)cc(-c3cccc(-c4nc5ccccc5c5nc6ccccc6n45)c3)c2)cc(-c2nc3ccccc3c3nc4ccccc4n23)c1
InChIInChI=1S/C66H39N9/c1-4-25-52-49(22-1)64-70-55-28-7-10-31-58(55)73(64)61(67-52)43-19-13-16-40(34-43)46-37-47(41-17-14-20-44(35-41)62-68-53-26-5-2-23-50(53)65-71-56-29-8-11-32-59(56)74(62)65)39-48(38-46)42-18-15-21-45(36-42)63-69-54-27-6-3-24-51(54)66-72-57-30-9-12-33-60(57)75(63)66/h1-39H
InChIKeyTXJANSAZVWNXFR-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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Related Compounds

6-(3,5-diphenylphenyl)benzimidazolo[1,2-c]quinazoline
CID 70652103
6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 58894937
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 70807705
6-(4,6-diphenyl-2-pyridinyl)benzimidazolo[1,2-c]quinazoline
CID 70807699
4-[4-[6-(benzimidazolo[1,2-c]quinazolin-6-yl)naphthalen-2-yl]phenyl]benzonitrile
CID 154940310
6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 12826322
6-[3-[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]-2-naphthalen-2-ylbenzimidazolo[1,2-c]quinazoline;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-6-naphthalen-2-ylbenzimidazolo[1,2-c]quinazoline;2-(9,10-dinaphthalen-1-ylanthracen-2-yl)-6-(4-phenylphenyl)benzimidazolo[1,2-c]quinazoline;6-naphthalen-2-yl-2-(10-naphthalen-2-ylanthracen-9-yl)benzimidazolo[1,2-c]quinazoline;2-naphthalen-2-yl-6-[3-[3-(2-naphthalen-2-ylbenzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]benzimidazolo[1,2-c]quinazoline;6-[3-naphthalen-2-yl-5-(2-phenylbenzimidazolo[1,2-c]quinazolin-6-yl)phenyl]-2-phenylbenzimidazolo[1,2-c]quinazoline
CID 159359183
6-[4-(10-methylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 143486488
6-[2-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509097
6-(3-methylphenyl)benzimidazolo[2,1-a]isoquinoline
CID 138980951
13-phenyl-3,10,23,30-tetrazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17,19,21,24,26,28-tetradecaene
CID 138474670
5-[3-(3-sulfanylidene-2H-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)phenyl]-2H-[1,2,4]triazolo[4,3-c]quinazoline-3-thione
CID 10600718

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline (CID 58894944) is 6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline is c1cc(-c2cc(-c3cccc(-c4nc5ccccc5c5nc6ccccc6n45)c3)cc(-c3cccc(-c4nc5ccccc5c5nc6ccccc6n45)c3)c2)cc(-c2nc3ccccc3c3nc4ccccc4n23)c1.
What is the InChIKey of 6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is TXJANSAZVWNXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H39N9/c1-4-25-52-49(22-1)64-70-55-28-7-10-31-58(55)73(64)61(67-52)43-19-13-16-40(34-43)46-37-47(41-17-14-20-44(35-41)62-68-53-26-5-2-23-50(53)65-71-56-29-8-11-32-59(56)74(62)65)39-48(38-46)42-18-15-21-45(36-42)63-69-54-27-6-3-24-51(54)66-72-57-30-9-12-33-60(57)75(63)66/h1-39H.
What are the key properties of 6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline?
6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[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-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 58894944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).