2-ethyl-3-[4-[5-(2-phenylquinazolin-4-yl)naphthalen-2-yl]phenyl]benzo[e]benzimidazole

C43H30N4 — CID 161084250

IUPAC2-ethyl-3-[4-[5-(2-phenylquinazolin-4-yl)naphthalen-2-yl]phenyl]benzo[e]benzimidazole
SMILESCCc1nc2c3ccccc3ccc2n1-c1ccc(-c2ccc3c(-c4nc(-c5ccccc5)nc5ccccc45)cccc3c2)cc1
InChIInChI=1S/C43H30N4/c1-2-40-45-42-35-15-7-6-11-29(35)22-26-39(42)47(40)33-23-19-28(20-24-33)31-21-25-34-32(27-31)14-10-17-36(34)41-37-16-8-9-18-38(37)44-43(46-41)30-12-4-3-5-13-30/h3-27H,2H2,1H3
InChIKeyUGHLGMSRWIOEKZ-UHFFFAOYSA-N
MW602.74 g/mol
LogP10.84
Rot. Bonds5

About 2-ethyl-3-[4-[5-(2-phenylquinazolin-4-yl)naphthalen-2-yl]phenyl]benzo[e]benzimidazole

2-ethyl-3-[4-[5-(2-phenylquinazolin-4-yl)naphthalen-2-yl]phenyl]benzo[e]benzimidazole (PubChem CID 161084250) has the molecular formula C43H30N4 and a molecular weight of 602.74 g/mol. Its IUPAC name is 2-ethyl-3-[4-[5-(2-phenylquinazolin-4-yl)naphthalen-2-yl]phenyl]benzo[e]benzimidazole.

Molecular Properties

Compound Name2-ethyl-3-[4-[5-(2-phenylquinazolin-4-yl)naphthalen-2-yl]phenyl]benzo[e]benzimidazole
PubChem CID161084250
Molecular FormulaC43H30N4
Molecular Weight602.74 g/mol
Exact Mass602.25
IUPAC Name2-ethyl-3-[4-[5-(2-phenylquinazolin-4-yl)naphthalen-2-yl]phenyl]benzo[e]benzimidazole
SMILESCCc1nc2c3ccccc3ccc2n1-c1ccc(-c2ccc3c(-c4nc(-c5ccccc5)nc5ccccc45)cccc3c2)cc1
InChIInChI=1S/C43H30N4/c1-2-40-45-42-35-15-7-6-11-29(35)22-26-39(42)47(40)33-23-19-28(20-24-33)31-21-25-34-32(27-31)14-10-17-36(34)41-37-16-8-9-18-38(37)44-43(46-41)30-12-4-3-5-13-30/h3-27H,2H2,1H3
InChIKeyUGHLGMSRWIOEKZ-UHFFFAOYSA-N
XLogP10.84
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.74
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-[4-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine
CID 154611795
12-[4-[4-(3,5-diphenylphenyl)quinazolin-2-yl]phenyl]-6-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 157414199
4-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 139498569
2-ethyl-1-phenyl-4-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]imidazo[4,5-i]phenanthridine
CID 147980040
2-ethyl-1-[4-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]phenyl]benzimidazole
CID 166043163
2-ethyl-1-[4-[3-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166042959
12-[4-[4-[4-(3-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149629
2-ethyl-1-[4-[3-[4-[4-[5-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]naphthalen-2-yl]phenyl]phenyl]-10-naphthalen-1-ylanthracen-9-yl]phenyl]benzimidazole
CID 167191942
1-[4-[3,10-bis(4-phenylphenyl)anthracen-9-yl]phenyl]-2-ethylbenzimidazole;2-ethyl-1-[4-(10-naphthalen-1-yl-3-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole;2-ethyl-1-[4-[3-(2-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;2-ethyl-1-[4-[3-(3-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 167535306
4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine
CID 147184312
9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 159819873
2-ethyl-1-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]benzimidazole
CID 166043047

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[4-[5-(2-phenylquinazolin-4-yl)naphthalen-2-yl]phenyl]benzo[e]benzimidazole?
The IUPAC name of 2-ethyl-3-[4-[5-(2-phenylquinazolin-4-yl)naphthalen-2-yl]phenyl]benzo[e]benzimidazole (CID 161084250) is 2-ethyl-3-[4-[5-(2-phenylquinazolin-4-yl)naphthalen-2-yl]phenyl]benzo[e]benzimidazole.
What is the SMILES notation for 2-ethyl-3-[4-[5-(2-phenylquinazolin-4-yl)naphthalen-2-yl]phenyl]benzo[e]benzimidazole?
The canonical SMILES for 2-ethyl-3-[4-[5-(2-phenylquinazolin-4-yl)naphthalen-2-yl]phenyl]benzo[e]benzimidazole is CCc1nc2c3ccccc3ccc2n1-c1ccc(-c2ccc3c(-c4nc(-c5ccccc5)nc5ccccc45)cccc3c2)cc1.
What is the InChIKey of 2-ethyl-3-[4-[5-(2-phenylquinazolin-4-yl)naphthalen-2-yl]phenyl]benzo[e]benzimidazole?
The InChIKey is UGHLGMSRWIOEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N4/c1-2-40-45-42-35-15-7-6-11-29(35)22-26-39(42)47(40)33-23-19-28(20-24-33)31-21-25-34-32(27-31)14-10-17-36(34)41-37-16-8-9-18-38(37)44-43(46-41)30-12-4-3-5-13-30/h3-27H,2H2,1H3.
What are the key properties of 2-ethyl-3-[4-[5-(2-phenylquinazolin-4-yl)naphthalen-2-yl]phenyl]benzo[e]benzimidazole?
2-ethyl-3-[4-[5-(2-phenylquinazolin-4-yl)naphthalen-2-yl]phenyl]benzo[e]benzimidazole has a molecular weight of 602.74 g/mol, XLogP of 10.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[4-[5-(2-phenylquinazolin-4-yl)naphthalen-2-yl]phenyl]benzo[e]benzimidazole is sourced from PubChem (CID 161084250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).