1-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenylbenzimidazole

C47H34N2 — CID 146495716

IUPAC1-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenylbenzimidazole
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)cccc32)c2ccccc21
InChIInChI=1S/C47H34N2/c1-46(2)37-20-8-10-22-39(37)47(40-23-11-9-21-38(40)46)36-19-7-6-17-35(36)44-34(18-14-24-41(44)47)31-27-29-33(30-28-31)49-43-26-13-12-25-42(43)48-45(49)32-15-4-3-5-16-32/h3-30H,1-2H3
InChIKeyDCTWCNCNTORDMR-UHFFFAOYSA-N
MW626.80 g/mol
LogP11.36
Rot. Bonds3

About 1-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenylbenzimidazole

1-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenylbenzimidazole (PubChem CID 146495716) has the molecular formula C47H34N2 and a molecular weight of 626.80 g/mol. Its IUPAC name is 1-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenylbenzimidazole
PubChem CID146495716
Molecular FormulaC47H34N2
Molecular Weight626.80 g/mol
Exact Mass626.27
IUPAC Name1-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenylbenzimidazole
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)cccc32)c2ccccc21
InChIInChI=1S/C47H34N2/c1-46(2)37-20-8-10-22-39(37)47(40-23-11-9-21-38(40)46)36-19-7-6-17-35(36)44-34(18-14-24-41(44)47)31-27-29-33(30-28-31)49-43-26-13-12-25-42(43)48-45(49)32-15-4-3-5-16-32/h3-30H,1-2H3
InChIKeyDCTWCNCNTORDMR-UHFFFAOYSA-N
XLogP11.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.80
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)-1-phenylbenzimidazole
CID 146495261
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090
6-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-4-yl]-1,2-diphenylbenzimidazole
CID 118688136
2-[3-(4-bromo-9,9'-spirobi[fluorene]-4'-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 130287426
1-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-2-phenylbenzimidazole
CID 142453505
2-phenyl-1-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazole
CID 164938475
1-phenyl-2-[4-(5,5,19,19-tetramethyl-16-phenyl-2-heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaenyl)phenyl]benzimidazole
CID 58142510
3-[9,9-dimethyl-5-[3-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]-9-phenylcarbazole
CID 134595026
5-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-5-(1,2-diphenylbenzimidazol-5-yl)phenyl]-1,2-diphenylbenzimidazole
CID 164783517
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 153302560
15-phenyl-4'-(9-phenylcarbazol-3-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
CID 129262721

Frequently Asked Questions

What is the IUPAC name of 1-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenylbenzimidazole (CID 146495716) is 1-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenylbenzimidazole is CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)cccc32)c2ccccc21.
What is the InChIKey of 1-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenylbenzimidazole?
The InChIKey is DCTWCNCNTORDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N2/c1-46(2)37-20-8-10-22-39(37)47(40-23-11-9-21-38(40)46)36-19-7-6-17-35(36)44-34(18-14-24-41(44)47)31-27-29-33(30-28-31)49-43-26-13-12-25-42(43)48-45(49)32-15-4-3-5-16-32/h3-30H,1-2H3.
What are the key properties of 1-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenylbenzimidazole?
1-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenylbenzimidazole has a molecular weight of 626.80 g/mol, XLogP of 11.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenylbenzimidazole is sourced from PubChem (CID 146495716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).