5-(12-naphthalen-2-ylchrysen-6-yl)-1,2-diphenylbenzimidazole

C47H30N2 — CID 143743337

IUPAC5-(12-naphthalen-2-ylchrysen-6-yl)-1,2-diphenylbenzimidazole
SMILESc1ccc(-c2nc3cc(-c4cc5c6ccccc6c(-c6ccc7ccccc7c6)cc5c5ccccc45)ccc3n2-c2ccccc2)cc1
InChIInChI=1S/C47H30N2/c1-3-14-32(15-4-1)47-48-45-28-35(25-26-46(45)49(47)36-17-5-2-6-18-36)42-30-44-39-21-11-9-19-37(39)41(29-43(44)40-22-12-10-20-38(40)42)34-24-23-31-13-7-8-16-33(31)27-34/h1-30H
InChIKeySEYXGWQBZBMISN-UHFFFAOYSA-N
MW622.77 g/mol
LogP12.64
Rot. Bonds4

About 5-(12-naphthalen-2-ylchrysen-6-yl)-1,2-diphenylbenzimidazole

5-(12-naphthalen-2-ylchrysen-6-yl)-1,2-diphenylbenzimidazole (PubChem CID 143743337) has the molecular formula C47H30N2 and a molecular weight of 622.77 g/mol. Its IUPAC name is 5-(12-naphthalen-2-ylchrysen-6-yl)-1,2-diphenylbenzimidazole.

Molecular Properties

Compound Name5-(12-naphthalen-2-ylchrysen-6-yl)-1,2-diphenylbenzimidazole
PubChem CID143743337
Molecular FormulaC47H30N2
Molecular Weight622.77 g/mol
Exact Mass622.24
IUPAC Name5-(12-naphthalen-2-ylchrysen-6-yl)-1,2-diphenylbenzimidazole
SMILESc1ccc(-c2nc3cc(-c4cc5c6ccccc6c(-c6ccc7ccccc7c6)cc5c5ccccc45)ccc3n2-c2ccccc2)cc1
InChIInChI=1S/C47H30N2/c1-3-14-32(15-4-1)47-48-45-28-35(25-26-46(45)49(47)36-17-5-2-6-18-36)42-30-44-39-21-11-9-19-37(39)41(29-43(44)40-22-12-10-20-38(40)42)34-24-23-31-13-7-8-16-33(31)27-34/h1-30H
InChIKeySEYXGWQBZBMISN-UHFFFAOYSA-N
XLogP12.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.77
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(1,2-diphenylbenzimidazol-5-yl)-2,6-dinaphthalen-2-ylbenzo[h]quinoline
CID 70958695
5-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-1,2-diphenylbenzimidazole
CID 130269142
5-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole
CID 88598537
2-(2,6-diphenyl-4-pyridinyl)-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazole
CID 59010716
6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline
CID 70958976
2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-1-phenylbenzimidazole
CID 88544794
2-[3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-1-phenylbenzimidazole
CID 166509976
1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole
CID 59010634
5-(25,25-dimethyl-17-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)-1,2-diphenylbenzimidazole
CID 121431155
6-naphthalen-2-yl-8-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665208
1-[4-(5,8-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 177291197
1,2-diphenyl-5-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylbenzimidazole
CID 137494282

Frequently Asked Questions

What is the IUPAC name of 5-(12-naphthalen-2-ylchrysen-6-yl)-1,2-diphenylbenzimidazole?
The IUPAC name of 5-(12-naphthalen-2-ylchrysen-6-yl)-1,2-diphenylbenzimidazole (CID 143743337) is 5-(12-naphthalen-2-ylchrysen-6-yl)-1,2-diphenylbenzimidazole.
What is the SMILES notation for 5-(12-naphthalen-2-ylchrysen-6-yl)-1,2-diphenylbenzimidazole?
The canonical SMILES for 5-(12-naphthalen-2-ylchrysen-6-yl)-1,2-diphenylbenzimidazole is c1ccc(-c2nc3cc(-c4cc5c6ccccc6c(-c6ccc7ccccc7c6)cc5c5ccccc45)ccc3n2-c2ccccc2)cc1.
What is the InChIKey of 5-(12-naphthalen-2-ylchrysen-6-yl)-1,2-diphenylbenzimidazole?
The InChIKey is SEYXGWQBZBMISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2/c1-3-14-32(15-4-1)47-48-45-28-35(25-26-46(45)49(47)36-17-5-2-6-18-36)42-30-44-39-21-11-9-19-37(39)41(29-43(44)40-22-12-10-20-38(40)42)34-24-23-31-13-7-8-16-33(31)27-34/h1-30H.
What are the key properties of 5-(12-naphthalen-2-ylchrysen-6-yl)-1,2-diphenylbenzimidazole?
5-(12-naphthalen-2-ylchrysen-6-yl)-1,2-diphenylbenzimidazole has a molecular weight of 622.77 g/mol, XLogP of 12.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(12-naphthalen-2-ylchrysen-6-yl)-1,2-diphenylbenzimidazole is sourced from PubChem (CID 143743337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).