9-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-1,3,6,8-tetratert-butylfluoren-9-ol

C43H52N2O2 — CID 165375273

IUPAC9-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-1,3,6,8-tetratert-butylfluoren-9-ol
SMILESCOc1ccc(C2(O)c3c(cc(C(C)(C)C)cc3C(C)(C)C)-c3cc(C(C)(C)C)cc(C(C)(C)C)c32)c(-n2cnc3ccccc32)c1
InChIInChI=1S/C43H52N2O2/c1-39(2,3)26-20-29-30-21-27(40(4,5)6)23-33(42(10,11)12)38(30)43(46,37(29)32(22-26)41(7,8)9)31-19-18-28(47-13)24-36(31)45-25-44-34-16-14-15-17-35(34)45/h14-25,46H,1-13H3
InChIKeyDQXMTZHOEJTQRX-UHFFFAOYSA-N
MW628.90 g/mol
LogP10.49
Rot. Bonds3

About 9-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-1,3,6,8-tetratert-butylfluoren-9-ol

9-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-1,3,6,8-tetratert-butylfluoren-9-ol (PubChem CID 165375273) has the molecular formula C43H52N2O2 and a molecular weight of 628.90 g/mol. Its IUPAC name is 9-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-1,3,6,8-tetratert-butylfluoren-9-ol.

Molecular Properties

Compound Name9-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-1,3,6,8-tetratert-butylfluoren-9-ol
PubChem CID165375273
Molecular FormulaC43H52N2O2
Molecular Weight628.90 g/mol
Exact Mass628.40
IUPAC Name9-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-1,3,6,8-tetratert-butylfluoren-9-ol
SMILESCOc1ccc(C2(O)c3c(cc(C(C)(C)C)cc3C(C)(C)C)-c3cc(C(C)(C)C)cc(C(C)(C)C)c32)c(-n2cnc3ccccc32)c1
InChIInChI=1S/C43H52N2O2/c1-39(2,3)26-20-29-30-21-27(40(4,5)6)23-33(42(10,11)12)38(30)43(46,37(29)32(22-26)41(7,8)9)31-19-18-28(47-13)24-36(31)45-25-44-34-16-14-15-17-35(34)45/h14-25,46H,1-13H3
InChIKeyDQXMTZHOEJTQRX-UHFFFAOYSA-N
XLogP10.49
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.90
LogP ≤ 510.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-2,2-dimethylpropan-1-one
CID 163284683
[2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine
CID 81299090
1-(benzimidazol-1-yl)-7-methoxyisoquinoline
CID 106543716
6-methoxy-1-phenylbenzimidazole
CID 652633
2-(benzimidazol-1-yl)-N-[(4-methoxyphenyl)methyl]aniline
CID 118867936
1-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-2,2-dimethylpropan-1-one;tert-butyl N-[2-[2-(2,2-dimethylpropanoyl)-5-methoxyanilino]phenyl]carbamate;formic acid
CID 165086149
1-(4-ethoxyphenyl)benzimidazole
CID 175001446
4-(benzimidazol-1-yl)-2-methoxyaniline
CID 63676519
[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 55953307
3-(benzimidazol-1-yl)naphthalen-2-ol
CID 57307843
1-(4-methoxy-2-methylphenyl)-4-(trifluoromethyl)benzimidazole
CID 66972481
(2S)-2-[3-(benzimidazol-1-yl)phenoxy]propanamide
CID 95147655

Frequently Asked Questions

What is the IUPAC name of 9-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-1,3,6,8-tetratert-butylfluoren-9-ol?
The IUPAC name of 9-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-1,3,6,8-tetratert-butylfluoren-9-ol (CID 165375273) is 9-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-1,3,6,8-tetratert-butylfluoren-9-ol.
What is the SMILES notation for 9-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-1,3,6,8-tetratert-butylfluoren-9-ol?
The canonical SMILES for 9-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-1,3,6,8-tetratert-butylfluoren-9-ol is COc1ccc(C2(O)c3c(cc(C(C)(C)C)cc3C(C)(C)C)-c3cc(C(C)(C)C)cc(C(C)(C)C)c32)c(-n2cnc3ccccc32)c1.
What is the InChIKey of 9-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-1,3,6,8-tetratert-butylfluoren-9-ol?
The InChIKey is DQXMTZHOEJTQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H52N2O2/c1-39(2,3)26-20-29-30-21-27(40(4,5)6)23-33(42(10,11)12)38(30)43(46,37(29)32(22-26)41(7,8)9)31-19-18-28(47-13)24-36(31)45-25-44-34-16-14-15-17-35(34)45/h14-25,46H,1-13H3.
What are the key properties of 9-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-1,3,6,8-tetratert-butylfluoren-9-ol?
9-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-1,3,6,8-tetratert-butylfluoren-9-ol has a molecular weight of 628.90 g/mol, XLogP of 10.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-1,3,6,8-tetratert-butylfluoren-9-ol is sourced from PubChem (CID 165375273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).