2-[3-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1H-benzimidazole;ethane;(Z)-pent-2-ene;prop-1-ene

C73H64N2 — CID 142263989

IUPAC2-[3-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1H-benzimidazole;ethane;(Z)-pent-2-ene;prop-1-ene
SMILESC/C=C\CC.C=CC.CC.c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cc(-c5cccc(-c6nc7ccccc7[nH]6)c5)ccc34)c2)cc1
InChIInChI=1S/C63H42N2.C5H10.C3H6.C2H6/c1-5-18-42(19-6-1)49-35-50(43-20-7-2-8-21-43)38-53(37-49)61-55-28-13-14-29-56(55)62(54-39-51(44-22-9-3-10-23-44)36-52(40-54)45-24-11-4-12-25-45)58-41-47(32-33-57(58)61)46-26-17-27-48(34-46)63-64-59-30-15-16-31-60(59)65-63;1-3-5-4-2;1-3-2;1-2/h1-41H,(H,64,65);3,5H,4H2,1-2H3;3H,1H2,2H3;1-2H3/b;5-3-;;
InChIKeyXWVTXEVQCXDIQE-YQCBKESXSA-N
MW969.33 g/mol
LogP21.40
Rot. Bonds9

About 2-[3-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1H-benzimidazole;ethane;(Z)-pent-2-ene;prop-1-ene

2-[3-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1H-benzimidazole;ethane;(Z)-pent-2-ene;prop-1-ene (PubChem CID 142263989) has the molecular formula C73H64N2 and a molecular weight of 969.33 g/mol. Its IUPAC name is 2-[3-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1H-benzimidazole;ethane;(Z)-pent-2-ene;prop-1-ene.

Molecular Properties

Compound Name2-[3-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1H-benzimidazole;ethane;(Z)-pent-2-ene;prop-1-ene
PubChem CID142263989
Molecular FormulaC73H64N2
Molecular Weight969.33 g/mol
Exact Mass968.51
IUPAC Name2-[3-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1H-benzimidazole;ethane;(Z)-pent-2-ene;prop-1-ene
SMILESC/C=C\CC.C=CC.CC.c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cc(-c5cccc(-c6nc7ccccc7[nH]6)c5)ccc34)c2)cc1
InChIInChI=1S/C63H42N2.C5H10.C3H6.C2H6/c1-5-18-42(19-6-1)49-35-50(43-20-7-2-8-21-43)38-53(37-49)61-55-28-13-14-29-56(55)62(54-39-51(44-22-9-3-10-23-44)36-52(40-54)45-24-11-4-12-25-45)58-41-47(32-33-57(58)61)46-26-17-27-48(34-46)63-64-59-30-15-16-31-60(59)65-63;1-3-5-4-2;1-3-2;1-2/h1-41H,(H,64,65);3,5H,4H2,1-2H3;3H,1H2,2H3;1-2H3/b;5-3-;;
InChIKeyXWVTXEVQCXDIQE-YQCBKESXSA-N
XLogP21.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.33
LogP ≤ 521.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenyl-1H-benzimidazole
CID 136503273
5-(9,10-diphenylanthracen-2-yl)-2-phenyl-1H-benzimidazole
CID 136612713
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
N-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]ethanamine
CID 44524235
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681
2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90361453
2-(3-bromophenyl)-1H-benzimidazole;ethane
CID 143816010
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-(3-ethoxyphenyl)-1H-benzimidazole
CID 19224120
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464

Frequently Asked Questions

What is the IUPAC name of 2-[3-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1H-benzimidazole;ethane;(Z)-pent-2-ene;prop-1-ene?
The IUPAC name of 2-[3-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1H-benzimidazole;ethane;(Z)-pent-2-ene;prop-1-ene (CID 142263989) is 2-[3-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1H-benzimidazole;ethane;(Z)-pent-2-ene;prop-1-ene.
What is the SMILES notation for 2-[3-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1H-benzimidazole;ethane;(Z)-pent-2-ene;prop-1-ene?
The canonical SMILES for 2-[3-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1H-benzimidazole;ethane;(Z)-pent-2-ene;prop-1-ene is C/C=C\CC.C=CC.CC.c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cc(-c5cccc(-c6nc7ccccc7[nH]6)c5)ccc34)c2)cc1.
What is the InChIKey of 2-[3-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1H-benzimidazole;ethane;(Z)-pent-2-ene;prop-1-ene?
The InChIKey is XWVTXEVQCXDIQE-YQCBKESXSA-N. The full InChI is InChI=1S/C63H42N2.C5H10.C3H6.C2H6/c1-5-18-42(19-6-1)49-35-50(43-20-7-2-8-21-43)38-53(37-49)61-55-28-13-14-29-56(55)62(54-39-51(44-22-9-3-10-23-44)36-52(40-54)45-24-11-4-12-25-45)58-41-47(32-33-57(58)61)46-26-17-27-48(34-46)63-64-59-30-15-16-31-60(59)65-63;1-3-5-4-2;1-3-2;1-2/h1-41H,(H,64,65);3,5H,4H2,1-2H3;3H,1H2,2H3;1-2H3/b;5-3-;;.
What are the key properties of 2-[3-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1H-benzimidazole;ethane;(Z)-pent-2-ene;prop-1-ene?
2-[3-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1H-benzimidazole;ethane;(Z)-pent-2-ene;prop-1-ene has a molecular weight of 969.33 g/mol, XLogP of 21.40, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1H-benzimidazole;ethane;(Z)-pent-2-ene;prop-1-ene is sourced from PubChem (CID 142263989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).