2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-4-[4-(1,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-yl)carbazol-9-yl]phenol

C49H30N8O — CID 121419663

IUPAC2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-4-[4-(1,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-yl)carbazol-9-yl]phenol
SMILESOc1ccc(-n2c3ccccc3c3c(-n4c5ccccc5n5c6ncccc6nc45)cccc32)cc1-c1cccc(-n2c3ccccc3n3c4ccccc4nc23)c1
InChIInChI=1S/C49H30N8O/c58-45-26-25-32(29-34(45)30-12-9-13-31(28-30)54-39-19-5-6-20-40(39)55-38-18-4-2-15-35(38)51-48(54)55)53-37-17-3-1-14-33(37)46-43(53)23-10-24-44(46)56-41-21-7-8-22-42(41)57-47-36(52-49(56)57)16-11-27-50-47/h1-29,58H
InChIKeyGIOVZXOLROTQAR-UHFFFAOYSA-N
MW746.83 g/mol
LogP11.04
Rot. Bonds4

About 2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-4-[4-(1,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-yl)carbazol-9-yl]phenol

2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-4-[4-(1,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-yl)carbazol-9-yl]phenol (PubChem CID 121419663) has the molecular formula C49H30N8O and a molecular weight of 746.83 g/mol. Its IUPAC name is 2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-4-[4-(1,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-yl)carbazol-9-yl]phenol.

Molecular Properties

Compound Name2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-4-[4-(1,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-yl)carbazol-9-yl]phenol
PubChem CID121419663
Molecular FormulaC49H30N8O
Molecular Weight746.83 g/mol
Exact Mass746.25
IUPAC Name2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-4-[4-(1,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-yl)carbazol-9-yl]phenol
SMILESOc1ccc(-n2c3ccccc3c3c(-n4c5ccccc5n5c6ncccc6nc45)cccc32)cc1-c1cccc(-n2c3ccccc3n3c4ccccc4nc23)c1
InChIInChI=1S/C49H30N8O/c58-45-26-25-32(29-34(45)30-12-9-13-31(28-30)54-39-19-5-6-20-40(39)55-38-18-4-2-15-35(38)51-48(54)55)53-37-17-3-1-14-33(37)46-43(53)23-10-24-44(46)56-41-21-7-8-22-42(41)57-47-36(52-49(56)57)16-11-27-50-47/h1-29,58H
InChIKeyGIOVZXOLROTQAR-UHFFFAOYSA-N
XLogP11.04
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.83
LogP ≤ 511.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-4-[4-(1,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-yl)carbazol-9-yl]phenol with MolForge

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Related Compounds

5-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenylcarbazol-9-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 169077515
10-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaene
CID 169077364
2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenol
CID 121420257
5-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 140932542
5-[3-[6-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-5-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 146631705
4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546209
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole
CID 121420268
5-[2-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 146626082
10-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23-dodecaene
CID 140920342
5-[6-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole
CID 121420272
2-[5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-7-phenyl-[1,3,2]benzodiazaborolo[1,2-a][1,3,2]benzodiazaborol-2-yl]-5,7-diphenyl-[1,3,2]benzodiazaborolo[1,2-a][1,3,2]benzodiazaborole;5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-7-phenyl-2-pyrido[2,3-b]indol-9-yl-[1,3,2]benzodiazaborolo[1,2-a][1,3,2]benzodiazaborole;2-[5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-7-phenyl-3-(trideuteriomethyl)-[1,3,2]benzodiazaborolo[1,2-a][1,3,2]benzodiazaborol-2-yl]-5,7-diphenyl-3-(trideuteriomethyl)-[1,3,2]benzodiazaborolo[1,2-a][1,3,2]benzodiazaborole;5,7-bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[1,3,2]benzodiazaborolo[1,2-a][1,3,2]benzodiazaborole
CID 162018936
6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]indole
CID 146631411

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-4-[4-(1,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-yl)carbazol-9-yl]phenol?
The IUPAC name of 2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-4-[4-(1,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-yl)carbazol-9-yl]phenol (CID 121419663) is 2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-4-[4-(1,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-yl)carbazol-9-yl]phenol.
What is the SMILES notation for 2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-4-[4-(1,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-yl)carbazol-9-yl]phenol?
The canonical SMILES for 2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-4-[4-(1,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-yl)carbazol-9-yl]phenol is Oc1ccc(-n2c3ccccc3c3c(-n4c5ccccc5n5c6ncccc6nc45)cccc32)cc1-c1cccc(-n2c3ccccc3n3c4ccccc4nc23)c1.
What is the InChIKey of 2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-4-[4-(1,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-yl)carbazol-9-yl]phenol?
The InChIKey is GIOVZXOLROTQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N8O/c58-45-26-25-32(29-34(45)30-12-9-13-31(28-30)54-39-19-5-6-20-40(39)55-38-18-4-2-15-35(38)51-48(54)55)53-37-17-3-1-14-33(37)46-43(53)23-10-24-44(46)56-41-21-7-8-22-42(41)57-47-36(52-49(56)57)16-11-27-50-47/h1-29,58H.
What are the key properties of 2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-4-[4-(1,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-yl)carbazol-9-yl]phenol?
2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-4-[4-(1,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-yl)carbazol-9-yl]phenol has a molecular weight of 746.83 g/mol, XLogP of 11.04, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-4-[4-(1,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaen-10-yl)carbazol-9-yl]phenol is sourced from PubChem (CID 121419663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).