10-(7-carbazol-9-ylphenanthren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene

C45H28N2 — CID 164795384

IUPAC10-(7-carbazol-9-ylphenanthren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene
SMILESc1ccc2c(c1)Cc1cc(-c3ccc4c(ccc5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)cc3c4ccccc4n-2c13
InChIInChI=1S/C45H28N2/c1-5-13-41-31(9-1)24-33-25-32(27-40-39-12-4-8-16-44(39)47(41)45(33)40)28-19-21-35-29(23-28)17-18-30-26-34(20-22-36(30)35)46-42-14-6-2-10-37(42)38-11-3-7-15-43(38)46/h1-23,25-27H,24H2
InChIKeyPIOKFJFYUCKORA-UHFFFAOYSA-N
MW596.73 g/mol
LogP11.76
Rot. Bonds2

About 10-(7-carbazol-9-ylphenanthren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene

10-(7-carbazol-9-ylphenanthren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene (PubChem CID 164795384) has the molecular formula C45H28N2 and a molecular weight of 596.73 g/mol. Its IUPAC name is 10-(7-carbazol-9-ylphenanthren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene.

Molecular Properties

Compound Name10-(7-carbazol-9-ylphenanthren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene
PubChem CID164795384
Molecular FormulaC45H28N2
Molecular Weight596.73 g/mol
Exact Mass596.23
IUPAC Name10-(7-carbazol-9-ylphenanthren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene
SMILESc1ccc2c(c1)Cc1cc(-c3ccc4c(ccc5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)cc3c4ccccc4n-2c13
InChIInChI=1S/C45H28N2/c1-5-13-41-31(9-1)24-33-25-32(27-40-39-12-4-8-16-44(39)47(41)45(33)40)28-19-21-35-29(23-28)17-18-30-26-34(20-22-36(30)35)46-42-14-6-2-10-37(42)38-11-3-7-15-43(38)46/h1-23,25-27H,24H2
InChIKeyPIOKFJFYUCKORA-UHFFFAOYSA-N
XLogP11.76
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-(7-carbazol-9-ylphenanthren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene 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

3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole
CID 177074724
3-[9-(3-naphthalen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole
CID 146368758
7-naphthalen-2-yl-2-phenanthren-2-ylbenzo[c]carbazole
CID 130351506
3-[9-[3-(9H-fluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole
CID 126753402
10-naphthalen-1-yl-2-[4-(3-phenylcarbazol-9-yl)phenyl]-9H-acridine;2-naphthalen-2-yl-10-phenyl-7-[4-(3-phenylcarbazol-9-yl)phenyl]-9H-acridine;10-naphthalen-1-yl-2-phenyl-7-[4-(3-phenylcarbazol-9-yl)phenyl]-9H-acridine
CID 159385885
9-[4-[6-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenyl]carbazole
CID 58971525
9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole
CID 177074696
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole
CID 118581886
9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 164975300
9-[3-carbazol-9-yl-5-(7-carbazol-9-yltriphenylen-2-yl)phenyl]carbazole
CID 88884836
3,6-di(phenanthren-9-yl)-9-(7-phenanthren-9-yl-9H-fluoren-2-yl)carbazole
CID 118475131

Frequently Asked Questions

What is the IUPAC name of 10-(7-carbazol-9-ylphenanthren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene?
The IUPAC name of 10-(7-carbazol-9-ylphenanthren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene (CID 164795384) is 10-(7-carbazol-9-ylphenanthren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene.
What is the SMILES notation for 10-(7-carbazol-9-ylphenanthren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene?
The canonical SMILES for 10-(7-carbazol-9-ylphenanthren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene is c1ccc2c(c1)Cc1cc(-c3ccc4c(ccc5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)cc3c4ccccc4n-2c13.
What is the InChIKey of 10-(7-carbazol-9-ylphenanthren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene?
The InChIKey is PIOKFJFYUCKORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2/c1-5-13-41-31(9-1)24-33-25-32(27-40-39-12-4-8-16-44(39)47(41)45(33)40)28-19-21-35-29(23-28)17-18-30-26-34(20-22-36(30)35)46-42-14-6-2-10-37(42)38-11-3-7-15-43(38)46/h1-23,25-27H,24H2.
What are the key properties of 10-(7-carbazol-9-ylphenanthren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene?
10-(7-carbazol-9-ylphenanthren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene has a molecular weight of 596.73 g/mol, XLogP of 11.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(7-carbazol-9-ylphenanthren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene is sourced from PubChem (CID 164795384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).