1,3,4,7,8,9,10-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)carbazol-3-yl]-2-methylbenzimidazolo[1,2-a]benzimidazole

C50H32N4 — CID 165003593

IUPAC1,3,4,7,8,9,10-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)carbazol-3-yl]-2-methylbenzimidazolo[1,2-a]benzimidazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c([2H])c([2H])c1-c1c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(-n5c6c([2H])c([2H])c([2H])c([2H])c6n6c7c([2H])c(C)c([2H])c([2H])c7nc56)c([2H])c([2H])c43)c([2H])c1-c1c([2H])c([2H])c([2H])c([2H])c1-2
InChIInChI=1S/C50H32N4/c1-31-22-26-44-49(28-31)54-48-21-11-10-20-47(48)53(50(54)51-44)33-24-27-46-43(30-33)41-18-8-9-19-45(41)52(46)32-23-25-40-38-16-5-4-14-36(38)34-12-2-3-13-35(34)37-15-6-7-17-39(37)42(40)29-32/h2-30H,1H3/b36-34-,37-35-,40-38-,42-39-/i2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D
InChIKeyNMWHSDLEEDTLSA-MEYVTENBSA-N
MW718.01 g/mol
LogP12.82
Rot. Bonds2

About 1,3,4,7,8,9,10-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)carbazol-3-yl]-2-methylbenzimidazolo[1,2-a]benzimidazole

1,3,4,7,8,9,10-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)carbazol-3-yl]-2-methylbenzimidazolo[1,2-a]benzimidazole (PubChem CID 165003593) has the molecular formula C50H32N4 and a molecular weight of 718.01 g/mol. Its IUPAC name is 1,3,4,7,8,9,10-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)carbazol-3-yl]-2-methylbenzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name1,3,4,7,8,9,10-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)carbazol-3-yl]-2-methylbenzimidazolo[1,2-a]benzimidazole
PubChem CID165003593
Molecular FormulaC50H32N4
Molecular Weight718.01 g/mol
Exact Mass717.44
IUPAC Name1,3,4,7,8,9,10-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)carbazol-3-yl]-2-methylbenzimidazolo[1,2-a]benzimidazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c([2H])c([2H])c1-c1c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(-n5c6c([2H])c([2H])c([2H])c([2H])c6n6c7c([2H])c(C)c([2H])c([2H])c7nc56)c([2H])c([2H])c43)c([2H])c1-c1c([2H])c([2H])c([2H])c([2H])c1-2
InChIInChI=1S/C50H32N4/c1-31-22-26-44-49(28-31)54-48-21-11-10-20-47(48)53(50(54)51-44)33-24-27-46-43(30-33)41-18-8-9-19-45(41)52(46)32-23-25-40-38-16-5-4-14-36(38)34-12-2-3-13-35(34)37-15-6-7-17-39(37)42(40)29-32/h2-30H,1H3/b36-34-,37-35-,40-38-,42-39-/i2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D
InChIKeyNMWHSDLEEDTLSA-MEYVTENBSA-N
XLogP12.82
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.01
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3,4,7,8,9,10-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)carbazol-3-yl]-2-methylbenzimidazolo[1,2-a]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,4,5,6,7,8-octadeuterio-9-[3-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4,5,6,8-heptadeuterio-7-methylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole
CID 164979806
1,2,3,4,5,6,7,8-octadeuterio-9-[2-[2-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4,5,6,8-heptadeuterio-7-methylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2-[2-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)phenyl]phenyl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 165011570
1,2,3,4,5,6,8-heptadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 172513528
1,2,3,4,5,7,8-heptadeuterio-6-methyl-9-phenylcarbazole
CID 171461467
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,8-hexadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 164979337
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,8-hexadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 165107709
1,2,3,4,7,8,9,10-octadeuterio-5-[3,4,6,10,12,15,16,17,18-nonadeuterio-5-[2,3,4,6-tetradeuterio-5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-11-yl]benzimidazolo[1,2-a]benzimidazole
CID 177104208
1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,4,6-tetradeuterio-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuterio-5-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,4,6-tetradeuterio-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazole
CID 167686161
1,3,4,7,8,9,10-heptadeuterio-6-(1,3,4,6,7,8,9-heptadeuteriodibenzothiophen-2-yl)-2-methylbenzimidazolo[1,2-a]benzimidazole;1-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;3,4,5,7,8-pentadeuterio-1-(1,2,3,4,5,6,8-heptadeuterio-7-methylcarbazol-9-yl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;3,4,5,7,8-pentadeuterio-1-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-9-yl]-6-methyl-[1]benzothiolo[2,3-c]pyridine;2,6,7,9-tetradeuterio-4-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-9-yl]-8-methyl-[1]benzothiolo[3,2-d]pyrimidine;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-(1,3,4,7,8,9,10-heptadeuterio-2-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]silane
CID 165095162
1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-[2,3,4,6-tetradeuterio-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 165035542
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenyl-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)silane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)silane;[3-(1,3,4,7,8,9,10-heptadeuterio-2-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]-diphenyl-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)silane
CID 160547007
1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole
CID 172524274

Frequently Asked Questions

What is the IUPAC name of 1,3,4,7,8,9,10-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)carbazol-3-yl]-2-methylbenzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 1,3,4,7,8,9,10-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)carbazol-3-yl]-2-methylbenzimidazolo[1,2-a]benzimidazole (CID 165003593) is 1,3,4,7,8,9,10-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)carbazol-3-yl]-2-methylbenzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 1,3,4,7,8,9,10-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)carbazol-3-yl]-2-methylbenzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 1,3,4,7,8,9,10-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)carbazol-3-yl]-2-methylbenzimidazolo[1,2-a]benzimidazole is [2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c([2H])c([2H])c1-c1c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(-n5c6c([2H])c([2H])c([2H])c([2H])c6n6c7c([2H])c(C)c([2H])c([2H])c7nc56)c([2H])c([2H])c43)c([2H])c1-c1c([2H])c([2H])c([2H])c([2H])c1-2.
What is the InChIKey of 1,3,4,7,8,9,10-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)carbazol-3-yl]-2-methylbenzimidazolo[1,2-a]benzimidazole?
The InChIKey is NMWHSDLEEDTLSA-MEYVTENBSA-N. The full InChI is InChI=1S/C50H32N4/c1-31-22-26-44-49(28-31)54-48-21-11-10-20-47(48)53(50(54)51-44)33-24-27-46-43(30-33)41-18-8-9-19-45(41)52(46)32-23-25-40-38-16-5-4-14-36(38)34-12-2-3-13-35(34)37-15-6-7-17-39(37)42(40)29-32/h2-30H,1H3/b36-34-,37-35-,40-38-,42-39-/i2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D.
What are the key properties of 1,3,4,7,8,9,10-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)carbazol-3-yl]-2-methylbenzimidazolo[1,2-a]benzimidazole?
1,3,4,7,8,9,10-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)carbazol-3-yl]-2-methylbenzimidazolo[1,2-a]benzimidazole has a molecular weight of 718.01 g/mol, XLogP of 12.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,7,8,9,10-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)carbazol-3-yl]-2-methylbenzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 165003593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).