5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one

C58H37N3O — CID 154952080

IUPAC5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc6c(c5)c5cccc7c8ccccc8c(=O)n6c75)c4)c3cc21
InChIInChI=1S/C58H37N3O/c1-58(2)49-22-8-5-16-39(49)45-32-48-41-18-7-10-24-52(41)60(55(48)33-50(45)58)37-26-28-53-47(31-37)40-17-6-9-23-51(40)59(53)36-14-11-13-34(29-36)35-25-27-54-46(30-35)43-21-12-20-42-38-15-3-4-19-44(38)57(62)61(54)56(42)43/h3-33H,1-2H3
InChIKeyLBQUAAPWAADNEJ-UHFFFAOYSA-N
MW791.95 g/mol
LogP14.36
Rot. Bonds3

About 5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one

5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one (PubChem CID 154952080) has the molecular formula C58H37N3O and a molecular weight of 791.95 g/mol. Its IUPAC name is 5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one.

Molecular Properties

Compound Name5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
PubChem CID154952080
Molecular FormulaC58H37N3O
Molecular Weight791.95 g/mol
Exact Mass791.29
IUPAC Name5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc6c(c5)c5cccc7c8ccccc8c(=O)n6c75)c4)c3cc21
InChIInChI=1S/C58H37N3O/c1-58(2)49-22-8-5-16-39(49)45-32-48-41-18-7-10-24-52(41)60(55(48)33-50(45)58)37-26-28-53-47(31-37)40-17-6-9-23-51(40)59(53)36-14-11-13-34(29-36)35-25-27-54-46(30-35)43-21-12-20-42-38-15-3-4-19-44(38)57(62)61(54)56(42)43/h3-33H,1-2H3
InChIKeyLBQUAAPWAADNEJ-UHFFFAOYSA-N
XLogP14.36
TPSA31.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.95
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one 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

2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;7,7-dimethyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;11-phenyl-12-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 160662276
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
2-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-5-[9-[3-[3-[5-(6,9-diphenylcarbazol-3-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]phenyl]-6-phenylcarbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 139524627
5,10-bis(3-carbazol-9-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
CID 154593080
4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122537506
4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(3-phenylphenyl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(4-phenylphenyl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 159219083
28,28-dimethyl-32-(3-triphenylen-2-ylphenyl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene
CID 122527979
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one?
The IUPAC name of 5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one (CID 154952080) is 5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one.
What is the SMILES notation for 5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one?
The canonical SMILES for 5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc6c(c5)c5cccc7c8ccccc8c(=O)n6c75)c4)c3cc21.
What is the InChIKey of 5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one?
The InChIKey is LBQUAAPWAADNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3O/c1-58(2)49-22-8-5-16-39(49)45-32-48-41-18-7-10-24-52(41)60(55(48)33-50(45)58)37-26-28-53-47(31-37)40-17-6-9-23-51(40)59(53)36-14-11-13-34(29-36)35-25-27-54-46(30-35)43-21-12-20-42-38-15-3-4-19-44(38)57(62)61(54)56(42)43/h3-33H,1-2H3.
What are the key properties of 5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one?
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one has a molecular weight of 791.95 g/mol, XLogP of 14.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one is sourced from PubChem (CID 154952080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).