1-[3-[4-(8,9-dihydrofluoranthen-3-yl)cyclohexen-1-yl]phenyl]-2-phenylbenzimidazole

C41H32N2 — CID 130241443

IUPAC1-[3-[4-(8,9-dihydrofluoranthen-3-yl)cyclohexen-1-yl]phenyl]-2-phenylbenzimidazole
SMILESC1=C(c2cccc(-n3c(-c4ccccc4)nc4ccccc43)c2)CCC(c2ccc3c4c(cccc24)C2=CCCC=C23)C1
InChIInChI=1S/C41H32N2/c1-2-10-29(11-3-1)41-42-38-18-6-7-19-39(38)43(41)31-13-8-12-30(26-31)27-20-22-28(23-21-27)32-24-25-37-34-15-5-4-14-33(34)36-17-9-16-35(32)40(36)37/h1-3,6-20,24-26,28H,4-5,21-23H2
InChIKeyXPTAGKCAEKPIMV-UHFFFAOYSA-N
MW552.72 g/mol
LogP10.77
Rot. Bonds4

About 1-[3-[4-(8,9-dihydrofluoranthen-3-yl)cyclohexen-1-yl]phenyl]-2-phenylbenzimidazole

1-[3-[4-(8,9-dihydrofluoranthen-3-yl)cyclohexen-1-yl]phenyl]-2-phenylbenzimidazole (PubChem CID 130241443) has the molecular formula C41H32N2 and a molecular weight of 552.72 g/mol. Its IUPAC name is 1-[3-[4-(8,9-dihydrofluoranthen-3-yl)cyclohexen-1-yl]phenyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[3-[4-(8,9-dihydrofluoranthen-3-yl)cyclohexen-1-yl]phenyl]-2-phenylbenzimidazole
PubChem CID130241443
Molecular FormulaC41H32N2
Molecular Weight552.72 g/mol
Exact Mass552.26
IUPAC Name1-[3-[4-(8,9-dihydrofluoranthen-3-yl)cyclohexen-1-yl]phenyl]-2-phenylbenzimidazole
SMILESC1=C(c2cccc(-n3c(-c4ccccc4)nc4ccccc43)c2)CCC(c2ccc3c4c(cccc24)C2=CCCC=C23)C1
InChIInChI=1S/C41H32N2/c1-2-10-29(11-3-1)41-42-38-18-6-7-19-39(38)43(41)31-13-8-12-30(26-31)27-20-22-28(23-21-27)32-24-25-37-34-15-5-4-14-33(34)36-17-9-16-35(32)40(36)37/h1-3,6-20,24-26,28H,4-5,21-23H2
InChIKeyXPTAGKCAEKPIMV-UHFFFAOYSA-N
XLogP10.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.72
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylbenzimidazole
CID 67991412
1-[3-(6,12-dinaphthalen-1-ylchrysen-2-yl)phenyl]-2-phenylbenzimidazole
CID 89280025
2-carbazol-9-yl-9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 144777561
1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole
CID 59010634
3,9-diphenyl-6-[4-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]carbazole
CID 88866647
9-[3-[2,4-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500891
2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole
CID 175392622
1-[3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-2-phenylbenzimidazole
CID 166509863
5,8-bis[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]quinoline
CID 138705115
1-naphthalen-2-yl-2-phenylbenzimidazole
CID 134454984
1-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953721
6-naphthalen-2-yl-8-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665208

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(8,9-dihydrofluoranthen-3-yl)cyclohexen-1-yl]phenyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[3-[4-(8,9-dihydrofluoranthen-3-yl)cyclohexen-1-yl]phenyl]-2-phenylbenzimidazole (CID 130241443) is 1-[3-[4-(8,9-dihydrofluoranthen-3-yl)cyclohexen-1-yl]phenyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[3-[4-(8,9-dihydrofluoranthen-3-yl)cyclohexen-1-yl]phenyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[3-[4-(8,9-dihydrofluoranthen-3-yl)cyclohexen-1-yl]phenyl]-2-phenylbenzimidazole is C1=C(c2cccc(-n3c(-c4ccccc4)nc4ccccc43)c2)CCC(c2ccc3c4c(cccc24)C2=CCCC=C23)C1.
What is the InChIKey of 1-[3-[4-(8,9-dihydrofluoranthen-3-yl)cyclohexen-1-yl]phenyl]-2-phenylbenzimidazole?
The InChIKey is XPTAGKCAEKPIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N2/c1-2-10-29(11-3-1)41-42-38-18-6-7-19-39(38)43(41)31-13-8-12-30(26-31)27-20-22-28(23-21-27)32-24-25-37-34-15-5-4-14-33(34)36-17-9-16-35(32)40(36)37/h1-3,6-20,24-26,28H,4-5,21-23H2.
What are the key properties of 1-[3-[4-(8,9-dihydrofluoranthen-3-yl)cyclohexen-1-yl]phenyl]-2-phenylbenzimidazole?
1-[3-[4-(8,9-dihydrofluoranthen-3-yl)cyclohexen-1-yl]phenyl]-2-phenylbenzimidazole has a molecular weight of 552.72 g/mol, XLogP of 10.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(8,9-dihydrofluoranthen-3-yl)cyclohexen-1-yl]phenyl]-2-phenylbenzimidazole is sourced from PubChem (CID 130241443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).