4-tert-butyl-7-(7-tert-butyl-9H-fluoren-2-yl)-2,2-dipropylbenzimidazole

C34H42N2 — CID 143949436

IUPAC4-tert-butyl-7-(7-tert-butyl-9H-fluoren-2-yl)-2,2-dipropylbenzimidazole
SMILESCCCC1(CCC)N=c2c(-c3ccc4c(c3)Cc3cc(C(C)(C)C)ccc3-4)ccc(C(C)(C)C)c2=N1
InChIInChI=1S/C34H42N2/c1-9-17-34(18-10-2)35-30-28(15-16-29(31(30)36-34)33(6,7)8)22-11-13-26-23(19-22)20-24-21-25(32(3,4)5)12-14-27(24)26/h11-16,19,21H,9-10,17-18,20H2,1-8H3
InChIKeyHNYRXKDWWWRIQD-UHFFFAOYSA-N
MW478.72 g/mol
LogP8.07
Rot. Bonds5

About 4-tert-butyl-7-(7-tert-butyl-9H-fluoren-2-yl)-2,2-dipropylbenzimidazole

4-tert-butyl-7-(7-tert-butyl-9H-fluoren-2-yl)-2,2-dipropylbenzimidazole (PubChem CID 143949436) has the molecular formula C34H42N2 and a molecular weight of 478.72 g/mol. Its IUPAC name is 4-tert-butyl-7-(7-tert-butyl-9H-fluoren-2-yl)-2,2-dipropylbenzimidazole.

Molecular Properties

Compound Name4-tert-butyl-7-(7-tert-butyl-9H-fluoren-2-yl)-2,2-dipropylbenzimidazole
PubChem CID143949436
Molecular FormulaC34H42N2
Molecular Weight478.72 g/mol
Exact Mass478.33
IUPAC Name4-tert-butyl-7-(7-tert-butyl-9H-fluoren-2-yl)-2,2-dipropylbenzimidazole
SMILESCCCC1(CCC)N=c2c(-c3ccc4c(c3)Cc3cc(C(C)(C)C)ccc3-4)ccc(C(C)(C)C)c2=N1
InChIInChI=1S/C34H42N2/c1-9-17-34(18-10-2)35-30-28(15-16-29(31(30)36-34)33(6,7)8)22-11-13-26-23(19-22)20-24-21-25(32(3,4)5)12-14-27(24)26/h11-16,19,21H,9-10,17-18,20H2,1-8H3
InChIKeyHNYRXKDWWWRIQD-UHFFFAOYSA-N
XLogP8.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.72
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[6,8-bis[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-2-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine
CID 59157266
(6,7-difluoro-6'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide
CID 90871376
2,2,3,3,3-pentafluoro-N-[3,3,3-trifluoro-2,2-dimethyl-1-(1,1,2,2,3,3,9,9-octamethylcyclopenta[b]fluoren-7-yl)propylidene]propanimidamide
CID 130380925
(6-cyanoimino-2,8-difluoro-10a-methyl-6aH-indeno[1,2-b]fluoren-12-ylidene)cyanamide
CID 130459790
[6-cyanoimino-2-(3,4-difluorophenyl)-10a-methyl-8-prop-1-en-2-yl-6aH-indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 130459802
[6-cyanoimino-4a-methyl-2,8-bis[3-(trifluoromethyl)phenyl]-10,12a-dihydro-9H-indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 130459863
[6-cyanoimino-10b-methyl-2-[4-(trifluoromethyl)phenyl]-11H-indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 130459875
[6-cyanoimino-2,8-bis(3,5-difluorophenyl)-2-methyl-1H-indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 130459877
[3-cyanoimino-2-[(1Z,4Z,6E)-2-[(Z)-prop-1-enyl]-6-(trifluoromethyl)nona-1,4,6,8-tetraenyl]-7-[(3E,5E)-6-(trifluoromethyl)octa-3,5,7-trien-3-yl]cyclopenta[b]fluoren-9-ylidene]cyanamide
CID 139501365
[6a-methyl-9-(6-methylcyclohexa-2,4-dien-1-yl)-7-phenyl-4-[4-(trifluoromethyl)phenyl]-6H-cyclopenta[a]acenaphthylen-8-ylidene]cyanamide
CID 145280805
[(4Z)-5-ethenyl-4-ethylidene-1-(4-fluorocyclohexa-2,4-dien-1-yl)-3-(4-fluorophenyl)-1,8b-dihydrocyclopenta[a]inden-2-ylidene]cyanamide
CID 145280808
(11-Cyanoimino-6-hexacyclo[14.4.2.05,20.07,19.010,18.012,17]docosa-1(20),2,4,7(19),8,10(18),12,14,16-nonaenylidene)cyanamide
CID 10316223

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-7-(7-tert-butyl-9H-fluoren-2-yl)-2,2-dipropylbenzimidazole?
The IUPAC name of 4-tert-butyl-7-(7-tert-butyl-9H-fluoren-2-yl)-2,2-dipropylbenzimidazole (CID 143949436) is 4-tert-butyl-7-(7-tert-butyl-9H-fluoren-2-yl)-2,2-dipropylbenzimidazole.
What is the SMILES notation for 4-tert-butyl-7-(7-tert-butyl-9H-fluoren-2-yl)-2,2-dipropylbenzimidazole?
The canonical SMILES for 4-tert-butyl-7-(7-tert-butyl-9H-fluoren-2-yl)-2,2-dipropylbenzimidazole is CCCC1(CCC)N=c2c(-c3ccc4c(c3)Cc3cc(C(C)(C)C)ccc3-4)ccc(C(C)(C)C)c2=N1.
What is the InChIKey of 4-tert-butyl-7-(7-tert-butyl-9H-fluoren-2-yl)-2,2-dipropylbenzimidazole?
The InChIKey is HNYRXKDWWWRIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N2/c1-9-17-34(18-10-2)35-30-28(15-16-29(31(30)36-34)33(6,7)8)22-11-13-26-23(19-22)20-24-21-25(32(3,4)5)12-14-27(24)26/h11-16,19,21H,9-10,17-18,20H2,1-8H3.
What are the key properties of 4-tert-butyl-7-(7-tert-butyl-9H-fluoren-2-yl)-2,2-dipropylbenzimidazole?
4-tert-butyl-7-(7-tert-butyl-9H-fluoren-2-yl)-2,2-dipropylbenzimidazole has a molecular weight of 478.72 g/mol, XLogP of 8.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-7-(7-tert-butyl-9H-fluoren-2-yl)-2,2-dipropylbenzimidazole is sourced from PubChem (CID 143949436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).