6-[4-(10-methylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline

C35H23N3 — CID 143486488

IUPAC6-[4-(10-methylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline
SMILESCc1c2ccccc2c(-c2ccc(-c3nc4ccccc4c4nc5ccccc5n34)cc2)c2ccccc12
InChIInChI=1S/C35H23N3/c1-22-25-10-2-4-12-27(25)33(28-13-5-3-11-26(22)28)23-18-20-24(21-19-23)34-36-30-15-7-6-14-29(30)35-37-31-16-8-9-17-32(31)38(34)35/h2-21H,1H3
InChIKeyVBEBQTFLIJPPPI-UHFFFAOYSA-N
MW485.59 g/mol
LogP8.98
Rot. Bonds2

About 6-[4-(10-methylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline

6-[4-(10-methylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline (PubChem CID 143486488) has the molecular formula C35H23N3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 6-[4-(10-methylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[4-(10-methylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline
PubChem CID143486488
Molecular FormulaC35H23N3
Molecular Weight485.59 g/mol
Exact Mass485.19
IUPAC Name6-[4-(10-methylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline
SMILESCc1c2ccccc2c(-c2ccc(-c3nc4ccccc4c4nc5ccccc5n34)cc2)c2ccccc12
InChIInChI=1S/C35H23N3/c1-22-25-10-2-4-12-27(25)33(28-13-5-3-11-26(22)28)23-18-20-24(21-19-23)34-36-30-15-7-6-14-29(30)35-37-31-16-8-9-17-32(31)38(34)35/h2-21H,1H3
InChIKeyVBEBQTFLIJPPPI-UHFFFAOYSA-N
XLogP8.98
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 12826322
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-(3,5-diphenylphenyl)benzimidazolo[1,2-c]quinazoline
CID 70652103
10-(10-phenylanthracen-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58037532
6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline
CID 58894944
2-(9,10-diphenylanthracen-2-yl)-6-methylbenzimidazolo[1,2-c]quinazoline
CID 129257054
2-[4-(10-methylphenanthren-9-yl)phenyl]-1-phenylbenzimidazole
CID 166656592
4-[4-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 58037935
1-ethyl-2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 171405751
11-[4-[4-(3,10,12-triazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-11-yl)phenyl]phenyl]-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 70807727
6-(4,6-diphenyl-2-pyridinyl)benzimidazolo[1,2-c]quinazoline
CID 70807699

Frequently Asked Questions

What is the IUPAC name of 6-[4-(10-methylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-[4-(10-methylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline (CID 143486488) is 6-[4-(10-methylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-[4-(10-methylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-[4-(10-methylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline is Cc1c2ccccc2c(-c2ccc(-c3nc4ccccc4c4nc5ccccc5n34)cc2)c2ccccc12.
What is the InChIKey of 6-[4-(10-methylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is VBEBQTFLIJPPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3/c1-22-25-10-2-4-12-27(25)33(28-13-5-3-11-26(22)28)23-18-20-24(21-19-23)34-36-30-15-7-6-14-29(30)35-37-31-16-8-9-17-32(31)38(34)35/h2-21H,1H3.
What are the key properties of 6-[4-(10-methylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline?
6-[4-(10-methylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 485.59 g/mol, XLogP of 8.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(10-methylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 143486488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).