[4-[5,11-diphenyl-12-[4-(pyridine-2-carbonyl)phenyl]indolo[3,2-b]carbazol-6-yl]phenyl]-pyridin-2-ylmethanone

C54H34N4O2 — CID 155081209

IUPAC[4-[5,11-diphenyl-12-[4-(pyridine-2-carbonyl)phenyl]indolo[3,2-b]carbazol-6-yl]phenyl]-pyridin-2-ylmethanone
SMILESO=C(c1ccc(-c2c3c4ccccc4n(-c4ccccc4)c3c(-c3ccc(C(=O)c4ccccn4)cc3)c3c4ccccc4n(-c4ccccc4)c23)cc1)c1ccccn1
InChIInChI=1S/C54H34N4O2/c59-53(43-21-11-13-33-55-43)37-29-25-35(26-30-37)47-50-42-20-8-10-24-46(42)58(40-17-5-2-6-18-40)52(50)48(36-27-31-38(32-28-36)54(60)44-22-12-14-34-56-44)49-41-19-7-9-23-45(41)57(51(47)49)39-15-3-1-4-16-39/h1-34H
InChIKeyYMFDWWAYFBICIW-UHFFFAOYSA-N
MW770.89 g/mol
LogP12.47
Rot. Bonds8

About [4-[5,11-diphenyl-12-[4-(pyridine-2-carbonyl)phenyl]indolo[3,2-b]carbazol-6-yl]phenyl]-pyridin-2-ylmethanone

[4-[5,11-diphenyl-12-[4-(pyridine-2-carbonyl)phenyl]indolo[3,2-b]carbazol-6-yl]phenyl]-pyridin-2-ylmethanone (PubChem CID 155081209) has the molecular formula C54H34N4O2 and a molecular weight of 770.89 g/mol. Its IUPAC name is [4-[5,11-diphenyl-12-[4-(pyridine-2-carbonyl)phenyl]indolo[3,2-b]carbazol-6-yl]phenyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-[5,11-diphenyl-12-[4-(pyridine-2-carbonyl)phenyl]indolo[3,2-b]carbazol-6-yl]phenyl]-pyridin-2-ylmethanone
PubChem CID155081209
Molecular FormulaC54H34N4O2
Molecular Weight770.89 g/mol
Exact Mass770.27
IUPAC Name[4-[5,11-diphenyl-12-[4-(pyridine-2-carbonyl)phenyl]indolo[3,2-b]carbazol-6-yl]phenyl]-pyridin-2-ylmethanone
SMILESO=C(c1ccc(-c2c3c4ccccc4n(-c4ccccc4)c3c(-c3ccc(C(=O)c4ccccn4)cc3)c3c4ccccc4n(-c4ccccc4)c23)cc1)c1ccccn1
InChIInChI=1S/C54H34N4O2/c59-53(43-21-11-13-33-55-43)37-29-25-35(26-30-37)47-50-42-20-8-10-24-46(42)58(40-17-5-2-6-18-40)52(50)48(36-27-31-38(32-28-36)54(60)44-22-12-14-34-56-44)49-41-19-7-9-23-45(41)57(51(47)49)39-15-3-1-4-16-39/h1-34H
InChIKeyYMFDWWAYFBICIW-UHFFFAOYSA-N
XLogP12.47
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.89
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[5,11-diphenyl-12-[4-(pyridine-2-carbonyl)phenyl]indolo[3,2-b]carbazol-6-yl]phenyl]-pyridin-2-ylmethanone 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

6,12-bis(4-tert-butylphenyl)-5,7-diphenylindolo[2,3-b]carbazole
CID 171053131
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,20-diphenyl-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 170064411
3,24-diphenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene
CID 122523763
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 135227760
6,12-bis[4-(8,14-diphenyl-1,8,14-triborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-5,11-diphenylindolo[3,2-b]carbazole
CID 155605761
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 118502129
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,20-diphenyl-10,13,20-triazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,14,16,18-octaene-12,21-dione
CID 170401429
9,18,27-tris[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 135227811
11,12-diphenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 170255530
5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164799969
[5-[3-[2,5-bis[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3-[6-(pyridine-2-carbonyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-pyridin-2-ylmethanone;9-[3-[4-(3-carbazol-9-ylphenyl)-2,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazole
CID 162095868
9,18-diphenyl-21-(4-phenylphenyl)-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 138729666

Frequently Asked Questions

What is the IUPAC name of [4-[5,11-diphenyl-12-[4-(pyridine-2-carbonyl)phenyl]indolo[3,2-b]carbazol-6-yl]phenyl]-pyridin-2-ylmethanone?
The IUPAC name of [4-[5,11-diphenyl-12-[4-(pyridine-2-carbonyl)phenyl]indolo[3,2-b]carbazol-6-yl]phenyl]-pyridin-2-ylmethanone (CID 155081209) is [4-[5,11-diphenyl-12-[4-(pyridine-2-carbonyl)phenyl]indolo[3,2-b]carbazol-6-yl]phenyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-[5,11-diphenyl-12-[4-(pyridine-2-carbonyl)phenyl]indolo[3,2-b]carbazol-6-yl]phenyl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-[5,11-diphenyl-12-[4-(pyridine-2-carbonyl)phenyl]indolo[3,2-b]carbazol-6-yl]phenyl]-pyridin-2-ylmethanone is O=C(c1ccc(-c2c3c4ccccc4n(-c4ccccc4)c3c(-c3ccc(C(=O)c4ccccn4)cc3)c3c4ccccc4n(-c4ccccc4)c23)cc1)c1ccccn1.
What is the InChIKey of [4-[5,11-diphenyl-12-[4-(pyridine-2-carbonyl)phenyl]indolo[3,2-b]carbazol-6-yl]phenyl]-pyridin-2-ylmethanone?
The InChIKey is YMFDWWAYFBICIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4O2/c59-53(43-21-11-13-33-55-43)37-29-25-35(26-30-37)47-50-42-20-8-10-24-46(42)58(40-17-5-2-6-18-40)52(50)48(36-27-31-38(32-28-36)54(60)44-22-12-14-34-56-44)49-41-19-7-9-23-45(41)57(51(47)49)39-15-3-1-4-16-39/h1-34H.
What are the key properties of [4-[5,11-diphenyl-12-[4-(pyridine-2-carbonyl)phenyl]indolo[3,2-b]carbazol-6-yl]phenyl]-pyridin-2-ylmethanone?
[4-[5,11-diphenyl-12-[4-(pyridine-2-carbonyl)phenyl]indolo[3,2-b]carbazol-6-yl]phenyl]-pyridin-2-ylmethanone has a molecular weight of 770.89 g/mol, XLogP of 12.47, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5,11-diphenyl-12-[4-(pyridine-2-carbonyl)phenyl]indolo[3,2-b]carbazol-6-yl]phenyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 155081209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).