2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-1-phenylbenzimidazole

C43H32N2 — CID 59195603

IUPAC2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-1-phenylbenzimidazole
SMILESCc1ccc2c(-c3nc4ccccc4n3-c3ccccc3)c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c2c1
InChIInChI=1S/C43H32N2/c1-27-21-23-33-35(25-27)40(28-22-24-37-34(26-28)30-15-9-10-18-36(30)43(37,2)3)31-16-7-8-17-32(31)41(33)42-44-38-19-11-12-20-39(38)45(42)29-13-5-4-6-14-29/h4-26H,1-3H3
InChIKeyJYKQSCAQPSCJMK-UHFFFAOYSA-N
MW576.74 g/mol
LogP11.28
Rot. Bonds3

About 2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-1-phenylbenzimidazole

2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-1-phenylbenzimidazole (PubChem CID 59195603) has the molecular formula C43H32N2 and a molecular weight of 576.74 g/mol. Its IUPAC name is 2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-1-phenylbenzimidazole
PubChem CID59195603
Molecular FormulaC43H32N2
Molecular Weight576.74 g/mol
Exact Mass576.26
IUPAC Name2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-1-phenylbenzimidazole
SMILESCc1ccc2c(-c3nc4ccccc4n3-c3ccccc3)c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c2c1
InChIInChI=1S/C43H32N2/c1-27-21-23-33-35(25-27)40(28-22-24-37-34(26-28)30-15-9-10-18-36(30)43(37,2)3)31-16-7-8-17-32(31)41(33)42-44-38-19-11-12-20-39(38)45(42)29-13-5-4-6-14-29/h4-26H,1-3H3
InChIKeyJYKQSCAQPSCJMK-UHFFFAOYSA-N
XLogP11.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.74
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-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]-1-phenylbenzimidazole
CID 58411752
2-[4-[10,10-dimethyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]phenyl]-1-phenylbenzimidazole
CID 58411901
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-1-phenylbenzimidazole
CID 59195314
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-[3-[10,10-dimethyl-14,21-di(phenanthren-9-yl)-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 58411898
CID 23590271
CID 23590271
2-[3-(10,10-dimethyl-14,21-dinaphthalen-2-yl-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 58411952
5-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-1,2-diphenylbenzimidazole
CID 129192558
2-(10,10-dimethyl-14,21-dinaphthalen-2-yl-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)-1-phenylbenzimidazole
CID 58412005
2-[14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-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]-1-phenylbenzimidazole;2-[14,21-di(fluoranthen-3-yl)-10,10-dimethyl-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]-1-phenylbenzimidazole;2-[10,10-dimethyl-14,21-di(phenanthren-9-yl)-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]-1-phenylbenzimidazole
CID 162132113
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
3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-5-methylspiro[benzo[b][1,4]benzazasiline-10,1'-silolane];2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-1-phenylbenzimidazole
CID 159414502

Frequently Asked Questions

What is the IUPAC name of 2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-1-phenylbenzimidazole?
The IUPAC name of 2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-1-phenylbenzimidazole (CID 59195603) is 2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-1-phenylbenzimidazole is Cc1ccc2c(-c3nc4ccccc4n3-c3ccccc3)c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c2c1.
What is the InChIKey of 2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-1-phenylbenzimidazole?
The InChIKey is JYKQSCAQPSCJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N2/c1-27-21-23-33-35(25-27)40(28-22-24-37-34(26-28)30-15-9-10-18-36(30)43(37,2)3)31-16-7-8-17-32(31)41(33)42-44-38-19-11-12-20-39(38)45(42)29-13-5-4-6-14-29/h4-26H,1-3H3.
What are the key properties of 2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-1-phenylbenzimidazole?
2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-1-phenylbenzimidazole has a molecular weight of 576.74 g/mol, XLogP of 11.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-1-phenylbenzimidazole is sourced from PubChem (CID 59195603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).