5-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine

C49H32N4S — CID 139482529

IUPAC5-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)n3c5ccccc5nc3n4-c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C49H32N4S/c1-3-11-33(12-4-1)35-19-23-37(24-20-35)51(38-25-21-36(22-26-38)34-13-5-2-6-14-34)40-27-29-45-46(32-40)53-44-17-9-8-16-43(44)50-49(53)52(45)39-28-30-48-42(31-39)41-15-7-10-18-47(41)54-48/h1-32H
InChIKeyHBFNCNLDHWGSSA-UHFFFAOYSA-N
MW708.89 g/mol
LogP13.60
Rot. Bonds6

About 5-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine

5-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine (PubChem CID 139482529) has the molecular formula C49H32N4S and a molecular weight of 708.89 g/mol. Its IUPAC name is 5-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine.

Molecular Properties

Compound Name5-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
PubChem CID139482529
Molecular FormulaC49H32N4S
Molecular Weight708.89 g/mol
Exact Mass708.23
IUPAC Name5-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)n3c5ccccc5nc3n4-c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C49H32N4S/c1-3-11-33(12-4-1)35-19-23-37(24-20-35)51(38-25-21-36(22-26-38)34-13-5-2-6-14-34)40-27-29-45-46(32-40)53-44-17-9-8-16-43(44)50-49(53)52(45)39-28-30-48-42(31-39)41-15-7-10-18-47(41)54-48/h1-32H
InChIKeyHBFNCNLDHWGSSA-UHFFFAOYSA-N
XLogP13.60
TPSA25.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.89
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-bis(4-phenylphenyl)-N-[5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazol-2-amine
CID 139482162
N-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-5-phenyl-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 155430382
17-dibenzothiophen-2-yl-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene
CID 122546169
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139480243
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 139480020
2-N,9-N,5-triphenyl-2-N,9-N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole-2,9-diamine
CID 155766540
5-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 155766484
9-dibenzothiophen-2-yl-N-(4-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 118333305
2-[8-(4-fluorocarbazol-9-yl)dibenzothiophen-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole
CID 121419643
8-(10,20-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine
CID 118242864
N-(4-phenylphenyl)-N-[4-(9-triphenylen-2-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 89492006
1-N,3-N-diphenyl-5-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 139482169

Frequently Asked Questions

What is the IUPAC name of 5-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine?
The IUPAC name of 5-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine (CID 139482529) is 5-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine.
What is the SMILES notation for 5-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine?
The canonical SMILES for 5-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)n3c5ccccc5nc3n4-c3ccc4sc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of 5-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine?
The InChIKey is HBFNCNLDHWGSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4S/c1-3-11-33(12-4-1)35-19-23-37(24-20-35)51(38-25-21-36(22-26-38)34-13-5-2-6-14-34)40-27-29-45-46(32-40)53-44-17-9-8-16-43(44)50-49(53)52(45)39-28-30-48-42(31-39)41-15-7-10-18-47(41)54-48/h1-32H.
What are the key properties of 5-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine?
5-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine has a molecular weight of 708.89 g/mol, XLogP of 13.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 139482529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).