1-[4-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)phenyl]-2-methylbenzimidazole

C55H36N2 — CID 143828943

IUPAC1-[4-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)phenyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1-c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc5ccc6cccc7ccc4c5c67)ccc2-3)cc1
InChIInChI=1S/C55H36N2/c1-35-56-51-17-8-9-18-52(51)57(35)44-27-21-36(22-28-44)40-25-30-46-47-31-26-41(45-29-23-39-20-19-37-11-10-12-38-24-32-48(45)54(39)53(37)38)34-50(47)55(49(46)33-40,42-13-4-2-5-14-42)43-15-6-3-7-16-43/h2-34H,1H3
InChIKeyLCUIIEBUQGKWEY-UHFFFAOYSA-N
MW724.91 g/mol
LogP13.93
Rot. Bonds5

About 1-[4-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)phenyl]-2-methylbenzimidazole

1-[4-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)phenyl]-2-methylbenzimidazole (PubChem CID 143828943) has the molecular formula C55H36N2 and a molecular weight of 724.91 g/mol. Its IUPAC name is 1-[4-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)phenyl]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[4-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)phenyl]-2-methylbenzimidazole
PubChem CID143828943
Molecular FormulaC55H36N2
Molecular Weight724.91 g/mol
Exact Mass724.29
IUPAC Name1-[4-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)phenyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1-c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc5ccc6cccc7ccc4c5c67)ccc2-3)cc1
InChIInChI=1S/C55H36N2/c1-35-56-51-17-8-9-18-52(51)57(35)44-27-21-36(22-28-44)40-25-30-46-47-31-26-41(45-29-23-39-20-19-37-11-10-12-38-24-32-48(45)54(39)53(37)38)34-50(47)55(49(46)33-40,42-13-4-2-5-14-42)43-15-6-3-7-16-43/h2-34H,1H3
InChIKeyLCUIIEBUQGKWEY-UHFFFAOYSA-N
XLogP13.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.91
LogP ≤ 513.93
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

1-[4-(9,9-diethyl-7-pyren-1-ylfluoren-2-yl)phenyl]-2-methylbenzimidazole
CID 143828933
2-methyl-1-[4-[6-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]naphthalen-2-yl]phenyl]benzimidazole
CID 167411349
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylbenzimidazole
CID 143828980
2-[6-(7-methyl-9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole
CID 58894769
2-tert-butyl-1-(4-pyren-1-ylphenyl)benzimidazole
CID 58106405
1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyren-1-ylphenyl)benzimidazole
CID 59010610
2-[9,9-diphenyl-6-(4-pyren-1-ylphenyl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166751908
2-(9,9-diphenyl-6-pyren-1-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166751845
1-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-(3-naphthalen-1-ylphenyl)pyrene
CID 170778639
2-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 166751806
1-[4-[4-(5-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22-tridecaenyl)naphthalen-1-yl]phenyl]-2-phenylbenzimidazole
CID 167411018
1-[4-(9,9-diethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828917

Frequently Asked Questions

What is the IUPAC name of 1-[4-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)phenyl]-2-methylbenzimidazole?
The IUPAC name of 1-[4-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)phenyl]-2-methylbenzimidazole (CID 143828943) is 1-[4-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)phenyl]-2-methylbenzimidazole.
What is the SMILES notation for 1-[4-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)phenyl]-2-methylbenzimidazole?
The canonical SMILES for 1-[4-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)phenyl]-2-methylbenzimidazole is Cc1nc2ccccc2n1-c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc5ccc6cccc7ccc4c5c67)ccc2-3)cc1.
What is the InChIKey of 1-[4-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)phenyl]-2-methylbenzimidazole?
The InChIKey is LCUIIEBUQGKWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2/c1-35-56-51-17-8-9-18-52(51)57(35)44-27-21-36(22-28-44)40-25-30-46-47-31-26-41(45-29-23-39-20-19-37-11-10-12-38-24-32-48(45)54(39)53(37)38)34-50(47)55(49(46)33-40,42-13-4-2-5-14-42)43-15-6-3-7-16-43/h2-34H,1H3.
What are the key properties of 1-[4-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)phenyl]-2-methylbenzimidazole?
1-[4-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)phenyl]-2-methylbenzimidazole has a molecular weight of 724.91 g/mol, XLogP of 13.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(9,9-diphenyl-7-pyren-1-ylfluoren-2-yl)phenyl]-2-methylbenzimidazole is sourced from PubChem (CID 143828943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).