6-(7-tert-butyl-9,9-diphenylfluoren-2-yl)benzimidazolo[1,2-c]quinazoline

C43H33N3 — CID 122593126

IUPAC6-(7-tert-butyl-9,9-diphenylfluoren-2-yl)benzimidazolo[1,2-c]quinazoline
SMILESCC(C)(C)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3nc4ccccc4c4nc5ccccc5n34)ccc1-2
InChIInChI=1S/C43H33N3/c1-42(2,3)31-23-25-33-32-24-22-28(40-44-37-19-11-10-18-34(37)41-45-38-20-12-13-21-39(38)46(40)41)26-35(32)43(36(33)27-31,29-14-6-4-7-15-29)30-16-8-5-9-17-30/h4-27H,1-3H3
InChIKeyWSVKTDCBKOSQBB-UHFFFAOYSA-N
MW591.76 g/mol
LogP10.36
Rot. Bonds3

About 6-(7-tert-butyl-9,9-diphenylfluoren-2-yl)benzimidazolo[1,2-c]quinazoline

6-(7-tert-butyl-9,9-diphenylfluoren-2-yl)benzimidazolo[1,2-c]quinazoline (PubChem CID 122593126) has the molecular formula C43H33N3 and a molecular weight of 591.76 g/mol. Its IUPAC name is 6-(7-tert-butyl-9,9-diphenylfluoren-2-yl)benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-(7-tert-butyl-9,9-diphenylfluoren-2-yl)benzimidazolo[1,2-c]quinazoline
PubChem CID122593126
Molecular FormulaC43H33N3
Molecular Weight591.76 g/mol
Exact Mass591.27
IUPAC Name6-(7-tert-butyl-9,9-diphenylfluoren-2-yl)benzimidazolo[1,2-c]quinazoline
SMILESCC(C)(C)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3nc4ccccc4c4nc5ccccc5n34)ccc1-2
InChIInChI=1S/C43H33N3/c1-42(2,3)31-23-25-33-32-24-22-28(40-44-37-19-11-10-18-34(37)41-45-38-20-12-13-21-39(38)46(40)41)26-35(32)43(36(33)27-31,29-14-6-4-7-15-29)30-16-8-5-9-17-30/h4-27H,1-3H3
InChIKeyWSVKTDCBKOSQBB-UHFFFAOYSA-N
XLogP10.36
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.76
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[7-(4-diphenylphosphorylphenyl)-9,9-dimethylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;2-[7-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;6-[4-(4-diphenylphosphorylphenyl)phenyl]-2-(4-naphthalen-2-ylphenyl)benzimidazolo[1,2-c]quinazoline
CID 162195935
6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline
CID 58894944
6-[4-(10-methylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 143486488
6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 12826322
6-(3,5-diphenylphenyl)benzimidazolo[1,2-c]quinazoline
CID 70652103
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 70807705
6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 58894937
2-[6-(7-methyl-9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole
CID 58894769
butane;6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;ethene
CID 145369484
10-(7-diphenylphosphoryl-9,9-diphenylfluoren-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;11-(7-diphenylphosphoryl-9,9-diphenylfluoren-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;4-(10-diphenylphosphorylphenanthren-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-(10-diphenylphosphorylphenanthren-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;17-(10-diphenylphosphorylphenanthren-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
CID 162177769
4-(3,9,9-triphenylfluoren-4-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 155765182
3-(9,9-diphenyl-7-tritylfluoren-2-yl)-9-ethylcarbazole
CID 59221341

Frequently Asked Questions

What is the IUPAC name of 6-(7-tert-butyl-9,9-diphenylfluoren-2-yl)benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-(7-tert-butyl-9,9-diphenylfluoren-2-yl)benzimidazolo[1,2-c]quinazoline (CID 122593126) is 6-(7-tert-butyl-9,9-diphenylfluoren-2-yl)benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-(7-tert-butyl-9,9-diphenylfluoren-2-yl)benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-(7-tert-butyl-9,9-diphenylfluoren-2-yl)benzimidazolo[1,2-c]quinazoline is CC(C)(C)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3nc4ccccc4c4nc5ccccc5n34)ccc1-2.
What is the InChIKey of 6-(7-tert-butyl-9,9-diphenylfluoren-2-yl)benzimidazolo[1,2-c]quinazoline?
The InChIKey is WSVKTDCBKOSQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N3/c1-42(2,3)31-23-25-33-32-24-22-28(40-44-37-19-11-10-18-34(37)41-45-38-20-12-13-21-39(38)46(40)41)26-35(32)43(36(33)27-31,29-14-6-4-7-15-29)30-16-8-5-9-17-30/h4-27H,1-3H3.
What are the key properties of 6-(7-tert-butyl-9,9-diphenylfluoren-2-yl)benzimidazolo[1,2-c]quinazoline?
6-(7-tert-butyl-9,9-diphenylfluoren-2-yl)benzimidazolo[1,2-c]quinazoline has a molecular weight of 591.76 g/mol, XLogP of 10.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-tert-butyl-9,9-diphenylfluoren-2-yl)benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 122593126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).