10-[2-chloro-3-[2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazol-10-yl]phenyl]-2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazole

C50H37ClN4 — CID 156855224

IUPAC10-[2-chloro-3-[2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazol-10-yl]phenyl]-2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazole
SMILESCc1cc(C)cc(-c2ccc3c(c2)cc2n(-c4cccc(-n5c6ccccc6n6c7ccc(-c8cc(C)cc(C)c8)cc7cc56)c4Cl)c4ccccc4n32)c1
InChIInChI=1S/C50H37ClN4/c1-30-20-31(2)23-36(22-30)34-16-18-40-38(26-34)28-48-52(40)42-10-5-7-12-44(42)54(48)46-14-9-15-47(50(46)51)55-45-13-8-6-11-43(45)53-41-19-17-35(27-39(41)29-49(53)55)37-24-32(3)21-33(4)25-37/h5-29H,1-4H3
InChIKeyWAZNWGHBQFFLJO-UHFFFAOYSA-N
MW729.33 g/mol
LogP13.61
Rot. Bonds4

About 10-[2-chloro-3-[2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazol-10-yl]phenyl]-2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazole

10-[2-chloro-3-[2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazol-10-yl]phenyl]-2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazole (PubChem CID 156855224) has the molecular formula C50H37ClN4 and a molecular weight of 729.33 g/mol. Its IUPAC name is 10-[2-chloro-3-[2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazol-10-yl]phenyl]-2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name10-[2-chloro-3-[2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazol-10-yl]phenyl]-2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazole
PubChem CID156855224
Molecular FormulaC50H37ClN4
Molecular Weight729.33 g/mol
Exact Mass728.27
IUPAC Name10-[2-chloro-3-[2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazol-10-yl]phenyl]-2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazole
SMILESCc1cc(C)cc(-c2ccc3c(c2)cc2n(-c4cccc(-n5c6ccccc6n6c7ccc(-c8cc(C)cc(C)c8)cc7cc56)c4Cl)c4ccccc4n32)c1
InChIInChI=1S/C50H37ClN4/c1-30-20-31(2)23-36(22-30)34-16-18-40-38(26-34)28-48-52(40)42-10-5-7-12-44(42)54(48)46-14-9-15-47(50(46)51)55-45-13-8-6-11-43(45)53-41-19-17-35(27-39(41)29-49(53)55)37-24-32(3)21-33(4)25-37/h5-29H,1-4H3
InChIKeyWAZNWGHBQFFLJO-UHFFFAOYSA-N
XLogP13.61
TPSA18.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.33
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-(4-phenylphenyl)-2-[10-(4-phenylphenyl)indolo[1,2-a]benzimidazol-7-yl]indolo[1,2-a]benzimidazole
CID 139407345
4-(2-chloro-5-methyl-3-pyrrolo[1,2-a]benzimidazol-4-ylphenyl)pyrrolo[1,2-a]benzimidazole
CID 156855266
3,6-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-9-phenylcarbazole
CID 170283637
3-[9-[3-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370607
3-[9-[4-(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370671
9-[4-(3,5-dimethylphenyl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 162173783
3-[9-(3-methyl-5-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 144560287
3-(3,5-dimethylphenyl)-9-(9H-fluoren-4-yl)carbazole
CID 118504532
3-(3-methyl-5-phenylphenyl)-9-phenylcarbazole
CID 123628919
9-[3-[3-(3-carbazol-9-ylphenyl)-5-methylphenyl]phenyl]carbazole
CID 59841971
1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene
CID 140841473
3-[3-[4-[3,5-di(phenanthren-2-yl)phenyl]phenyl]-5-methylphenyl]-9-phenylcarbazole
CID 170671261

Frequently Asked Questions

What is the IUPAC name of 10-[2-chloro-3-[2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazol-10-yl]phenyl]-2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazole?
The IUPAC name of 10-[2-chloro-3-[2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazol-10-yl]phenyl]-2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazole (CID 156855224) is 10-[2-chloro-3-[2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazol-10-yl]phenyl]-2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazole.
What is the SMILES notation for 10-[2-chloro-3-[2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazol-10-yl]phenyl]-2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazole?
The canonical SMILES for 10-[2-chloro-3-[2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazol-10-yl]phenyl]-2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazole is Cc1cc(C)cc(-c2ccc3c(c2)cc2n(-c4cccc(-n5c6ccccc6n6c7ccc(-c8cc(C)cc(C)c8)cc7cc56)c4Cl)c4ccccc4n32)c1.
What is the InChIKey of 10-[2-chloro-3-[2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazol-10-yl]phenyl]-2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazole?
The InChIKey is WAZNWGHBQFFLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37ClN4/c1-30-20-31(2)23-36(22-30)34-16-18-40-38(26-34)28-48-52(40)42-10-5-7-12-44(42)54(48)46-14-9-15-47(50(46)51)55-45-13-8-6-11-43(45)53-41-19-17-35(27-39(41)29-49(53)55)37-24-32(3)21-33(4)25-37/h5-29H,1-4H3.
What are the key properties of 10-[2-chloro-3-[2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazol-10-yl]phenyl]-2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazole?
10-[2-chloro-3-[2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazol-10-yl]phenyl]-2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazole has a molecular weight of 729.33 g/mol, XLogP of 13.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-chloro-3-[2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazol-10-yl]phenyl]-2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazole is sourced from PubChem (CID 156855224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).