2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole

C40H30N2 — CID 143828986

IUPAC2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)cc21
InChIInChI=1S/C40H30N2/c1-40(2)35-25-30(27-11-5-3-6-12-27)21-23-33(35)34-24-22-31(26-36(34)40)28-17-19-29(20-18-28)39-41-37-15-9-10-16-38(37)42(39)32-13-7-4-8-14-32/h3-26H,1-2H3
InChIKeyTYRATTRXTXCNNA-UHFFFAOYSA-N
MW538.69 g/mol
LogP10.33
Rot. Bonds4

About 2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole

2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole (PubChem CID 143828986) has the molecular formula C40H30N2 and a molecular weight of 538.69 g/mol. Its IUPAC name is 2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
PubChem CID143828986
Molecular FormulaC40H30N2
Molecular Weight538.69 g/mol
Exact Mass538.24
IUPAC Name2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)cc21
InChIInChI=1S/C40H30N2/c1-40(2)35-25-30(27-11-5-3-6-12-27)21-23-33(35)34-24-22-31(26-36(34)40)28-17-19-29(20-18-28)39-41-37-15-9-10-16-38(37)42(39)32-13-7-4-8-14-32/h3-26H,1-2H3
InChIKeyTYRATTRXTXCNNA-UHFFFAOYSA-N
XLogP10.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.69
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828941
2-[4-[10,10-dimethyl-14,21-bis(4-phenylphenyl)-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]phenyl]-1-phenylbenzimidazole
CID 58411779
1-phenyl-2-[4-(5,5,10,10-tetramethyl-2-naphthalen-2-ylindeno[2,1-a]inden-7-yl)phenyl]benzimidazole
CID 90068469
2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-1-phenylbenzimidazole
CID 118472824
9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]fluorene-2,7-diamine
CID 155473648
12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole
CID 90324779
2-[4-[14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl]phenyl]-1-phenylbenzimidazole
CID 58411797
2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090
12,12-dimethyl-2,8-diphenyl-11-[4-(2-phenylbenzimidazol-1-yl)phenyl]indeno[2,1-a]carbazole
CID 90324800
9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane
CID 158720213
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)-1-phenylbenzimidazole
CID 146495261

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole (CID 143828986) is 2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)cc21.
What is the InChIKey of 2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole?
The InChIKey is TYRATTRXTXCNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N2/c1-40(2)35-25-30(27-11-5-3-6-12-27)21-23-33(35)34-24-22-31(26-36(34)40)28-17-19-29(20-18-28)39-41-37-15-9-10-16-38(37)42(39)32-13-7-4-8-14-32/h3-26H,1-2H3.
What are the key properties of 2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole?
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole has a molecular weight of 538.69 g/mol, XLogP of 10.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 143828986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).