9-[8-(1,10-phenanthrolin-3-yl)quinolin-3-yl]-9-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,17-nonaene

C40H24N4 — CID 129013145

IUPAC9-[8-(1,10-phenanthrolin-3-yl)quinolin-3-yl]-9-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,17-nonaene
SMILESC1=Cc2cccc3cc4c(c(c23)C1)c1ccccc1n4-c1cnc2c(-c3cnc4c(ccc5cccnc54)c3)cccc2c1
InChIInChI=1S/C40H24N4/c1-2-15-34-32(12-1)37-33-14-4-8-24-7-3-9-26(36(24)33)21-35(37)44(34)30-20-27-10-5-13-31(38(27)43-23-30)29-19-28-17-16-25-11-6-18-41-39(25)40(28)42-22-29/h1-13,15-23H,14H2
InChIKeyRMOXFKUATSQNBO-UHFFFAOYSA-N
MW560.66 g/mol
LogP9.82
Rot. Bonds2

About 9-[8-(1,10-phenanthrolin-3-yl)quinolin-3-yl]-9-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,17-nonaene

9-[8-(1,10-phenanthrolin-3-yl)quinolin-3-yl]-9-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,17-nonaene (PubChem CID 129013145) has the molecular formula C40H24N4 and a molecular weight of 560.66 g/mol. Its IUPAC name is 9-[8-(1,10-phenanthrolin-3-yl)quinolin-3-yl]-9-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,17-nonaene.

Molecular Properties

Compound Name9-[8-(1,10-phenanthrolin-3-yl)quinolin-3-yl]-9-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,17-nonaene
PubChem CID129013145
Molecular FormulaC40H24N4
Molecular Weight560.66 g/mol
Exact Mass560.20
IUPAC Name9-[8-(1,10-phenanthrolin-3-yl)quinolin-3-yl]-9-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,17-nonaene
SMILESC1=Cc2cccc3cc4c(c(c23)C1)c1ccccc1n4-c1cnc2c(-c3cnc4c(ccc5cccnc54)c3)cccc2c1
InChIInChI=1S/C40H24N4/c1-2-15-34-32(12-1)37-33-14-4-8-24-7-3-9-26(36(24)33)21-35(37)44(34)30-20-27-10-5-13-31(38(27)43-23-30)29-19-28-17-16-25-11-6-18-41-39(25)40(28)42-22-29/h1-13,15-23H,14H2
InChIKeyRMOXFKUATSQNBO-UHFFFAOYSA-N
XLogP9.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.66
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-[8-(1,10-phenanthrolin-3-yl)quinolin-3-yl]-9-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,17-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

9-[3-[4-(1,10-phenanthrolin-3-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 130354115
12-(1,10-phenanthrolin-3-yl)-11-phenylindolo[2,3-a]carbazole
CID 118501870
9-[4-[4-[4-[4-[2-(4-carbazol-9-ylphenyl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-6-(6-quinolin-8-yl-3-pyridinyl)pyrimidin-2-yl]phenyl]carbazole
CID 88557966
3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole
CID 118133191
10-[3-[3-[9-(3-benzo[h]quinolin-10-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzo[h]quinoline
CID 118003234
9-[4-[4-[4-[4-[2-(4-carbazol-9-ylphenyl)-6-quinolin-3-ylpyrimidin-4-yl]phenyl]phenyl]-6-quinolin-3-ylpyrimidin-2-yl]phenyl]carbazole;8-[4-[4-[4-[2,6-di(quinolin-8-yl)pyrimidin-4-yl]phenyl]phenyl]-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]quinoline;8-[2-naphthalen-2-yl-6-[4-[4-[2-naphthalen-2-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]quinoline
CID 158208196
9-[4-(1,10-phenanthrolin-3-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 130354202
9-phenyl-1-[3-(9-phenylcarbazol-1-yl)-5-quinolin-8-ylphenyl]carbazole
CID 71127134
3,4,15,16-tetramethyl-5,17-bis(1,10-phenanthrolin-3-yl)-5,17-diazahexacyclo[11.11.0.02,6.07,12.014,18.019,24]tetracosa-1(13),2(6),3,7,9,11,14(18),15,19,21,23-undecaene
CID 58454020
9-(9-naphthalen-2-ylcarbazol-4-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-9-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole
CID 158495534
3-[4-[4-(1,10-phenanthrolin-3-yl)phenyl]phenyl]-1,10-phenanthroline
CID 118405011
3-(3-chrysen-6-yl-5-quinolin-8-ylphenyl)-1,10-phenanthroline
CID 171459902

Frequently Asked Questions

What is the IUPAC name of 9-[8-(1,10-phenanthrolin-3-yl)quinolin-3-yl]-9-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,17-nonaene?
The IUPAC name of 9-[8-(1,10-phenanthrolin-3-yl)quinolin-3-yl]-9-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,17-nonaene (CID 129013145) is 9-[8-(1,10-phenanthrolin-3-yl)quinolin-3-yl]-9-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,17-nonaene.
What is the SMILES notation for 9-[8-(1,10-phenanthrolin-3-yl)quinolin-3-yl]-9-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,17-nonaene?
The canonical SMILES for 9-[8-(1,10-phenanthrolin-3-yl)quinolin-3-yl]-9-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,17-nonaene is C1=Cc2cccc3cc4c(c(c23)C1)c1ccccc1n4-c1cnc2c(-c3cnc4c(ccc5cccnc54)c3)cccc2c1.
What is the InChIKey of 9-[8-(1,10-phenanthrolin-3-yl)quinolin-3-yl]-9-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,17-nonaene?
The InChIKey is RMOXFKUATSQNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4/c1-2-15-34-32(12-1)37-33-14-4-8-24-7-3-9-26(36(24)33)21-35(37)44(34)30-20-27-10-5-13-31(38(27)43-23-30)29-19-28-17-16-25-11-6-18-41-39(25)40(28)42-22-29/h1-13,15-23H,14H2.
What are the key properties of 9-[8-(1,10-phenanthrolin-3-yl)quinolin-3-yl]-9-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,17-nonaene?
9-[8-(1,10-phenanthrolin-3-yl)quinolin-3-yl]-9-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,17-nonaene has a molecular weight of 560.66 g/mol, XLogP of 9.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-(1,10-phenanthrolin-3-yl)quinolin-3-yl]-9-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,17-nonaene is sourced from PubChem (CID 129013145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).