3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene

C40H26N4 — CID 90078618

IUPAC3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene
SMILESc1ccc(-c2ccc(-n3c4cnccc4c4ccc5ccn(-c6ccc(-c7cccc8ccccc78)cc6)c5c43)cn2)cc1
InChIInChI=1S/C40H26N4/c1-2-8-29(9-3-1)37-20-18-32(25-42-37)44-38-26-41-23-21-35(38)36-19-15-30-22-24-43(39(30)40(36)44)31-16-13-28(14-17-31)34-12-6-10-27-7-4-5-11-33(27)34/h1-26H
InChIKeyCSPYEFKVGXXSHL-UHFFFAOYSA-N
MW562.68 g/mol
LogP10.00
Rot. Bonds4

About 3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene

3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene (PubChem CID 90078618) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene.

Molecular Properties

Compound Name3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene
PubChem CID90078618
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene
SMILESc1ccc(-c2ccc(-n3c4cnccc4c4ccc5ccn(-c6ccc(-c7cccc8ccccc78)cc6)c5c43)cn2)cc1
InChIInChI=1S/C40H26N4/c1-2-8-29(9-3-1)37-20-18-32(25-42-37)44-38-26-41-23-21-35(38)36-19-15-30-22-24-43(39(30)40(36)44)31-16-13-28(14-17-31)34-12-6-10-27-7-4-5-11-33(27)34/h1-26H
InChIKeyCSPYEFKVGXXSHL-UHFFFAOYSA-N
XLogP10.00
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene 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

5-bromo-2-phenylpyridine;3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene;3-(4-naphthalen-1-ylphenyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene
CID 159527806
1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole
CID 123457400
10-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-1-phenylpyrrolo[2,3-a]carbazole
CID 90062413
10-phenyl-1-(4-pyridin-2-ylphenyl)pyrrolo[2,3-a]carbazole;10-phenyl-1-(4-pyridin-3-ylphenyl)pyrrolo[2,3-a]carbazole;10-phenyl-1-(5-pyridin-3-yl-2-pyridinyl)pyrrolo[2,3-a]carbazole;10-phenyl-1-(5-pyridin-4-yl-2-pyridinyl)pyrrolo[2,3-a]carbazole
CID 160977911
1-phenyl-10-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazole
CID 118317252
12-(4-naphthalen-1-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 142481953
10-phenyl-1-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrrolo[2,3-a]carbazole
CID 118316007
7-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[3,4-b]indole
CID 129221374
9-[6-[6-[6-(4-naphthalen-1-ylphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
CID 59480322
10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315994
1-phenyl-10-[3-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315161
1-phenyl-10-[5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrazin-2-yl]pyrrolo[2,3-a]carbazole
CID 90090897

Frequently Asked Questions

What is the IUPAC name of 3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene?
The IUPAC name of 3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene (CID 90078618) is 3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene.
What is the SMILES notation for 3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene?
The canonical SMILES for 3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene is c1ccc(-c2ccc(-n3c4cnccc4c4ccc5ccn(-c6ccc(-c7cccc8ccccc78)cc6)c5c43)cn2)cc1.
What is the InChIKey of 3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene?
The InChIKey is CSPYEFKVGXXSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-2-8-29(9-3-1)37-20-18-32(25-42-37)44-38-26-41-23-21-35(38)36-19-15-30-22-24-43(39(30)40(36)44)31-16-13-28(14-17-31)34-12-6-10-27-7-4-5-11-33(27)34/h1-26H.
What are the key properties of 3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene?
3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene has a molecular weight of 562.68 g/mol, XLogP of 10.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene is sourced from PubChem (CID 90078618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).