5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenyl-2-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-1,3-diamine

C56H39N7 — CID 135131110

IUPAC5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenyl-2-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-1,3-diamine
SMILESc1ccc(-c2cc(-c3cc(N(c4ccccc4)c4ccccc4)c(-n4c5cccnc5c5ncccc54)c(N(c4ccccc4)c4ccccc4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C56H39N7/c1-7-21-40(22-8-1)47-39-48(60-56(59-47)41-23-9-2-10-24-41)42-37-51(61(43-25-11-3-12-26-43)44-27-13-4-14-28-44)55(63-49-33-19-35-57-53(49)54-50(63)34-20-36-58-54)52(38-42)62(45-29-15-5-16-30-45)46-31-17-6-18-32-46/h1-39H
InChIKeyHYVJYKIOSUNJMM-UHFFFAOYSA-N
MW809.98 g/mol
LogP14.30
Rot. Bonds10

About 5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenyl-2-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-1,3-diamine

5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenyl-2-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-1,3-diamine (PubChem CID 135131110) has the molecular formula C56H39N7 and a molecular weight of 809.98 g/mol. Its IUPAC name is 5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenyl-2-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenyl-2-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-1,3-diamine
PubChem CID135131110
Molecular FormulaC56H39N7
Molecular Weight809.98 g/mol
Exact Mass809.33
IUPAC Name5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenyl-2-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-1,3-diamine
SMILESc1ccc(-c2cc(-c3cc(N(c4ccccc4)c4ccccc4)c(-n4c5cccnc5c5ncccc54)c(N(c4ccccc4)c4ccccc4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C56H39N7/c1-7-21-40(22-8-1)47-39-48(60-56(59-47)41-23-9-2-10-24-41)42-37-51(61(43-25-11-3-12-26-43)44-27-13-4-14-28-44)55(63-49-33-19-35-57-53(49)54-50(63)34-20-36-58-54)52(38-42)62(45-29-15-5-16-30-45)46-31-17-6-18-32-46/h1-39H
InChIKeyHYVJYKIOSUNJMM-UHFFFAOYSA-N
XLogP14.30
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.98
LogP ≤ 514.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenyl-2-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-1,3-diamine 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-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-2-pyrido[3,2-b]indol-5-ylbenzene-1,3-diamine
CID 135131209
8-[2,6-bis(3,6-dimethylcarbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,12-dimethyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2,6-bis(3,6-dimethylcarbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2-(3,6-dimethylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)-3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 160536422
N,N-bis(4-tert-butylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)aniline;5-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-3-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole;5-[2,3,5,6-tetra(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole
CID 160597279
10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenoxazine
CID 135131249
2-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 135131328
N,N-diphenyl-4-[4-[4-[2-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]aniline
CID 59779628
4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 58028604
N-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 58028686
8-[2-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 135131420
N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 58028667
2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;bis(5-(2,6-diphenylpyrimidin-4-yl)-2-N,2-N-dimethyl-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,2,3-triamine)
CID 161452162
5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587590

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenyl-2-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-1,3-diamine?
The IUPAC name of 5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenyl-2-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-1,3-diamine (CID 135131110) is 5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenyl-2-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-1,3-diamine.
What is the SMILES notation for 5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenyl-2-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-1,3-diamine?
The canonical SMILES for 5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenyl-2-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-1,3-diamine is c1ccc(-c2cc(-c3cc(N(c4ccccc4)c4ccccc4)c(-n4c5cccnc5c5ncccc54)c(N(c4ccccc4)c4ccccc4)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenyl-2-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-1,3-diamine?
The InChIKey is HYVJYKIOSUNJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N7/c1-7-21-40(22-8-1)47-39-48(60-56(59-47)41-23-9-2-10-24-41)42-37-51(61(43-25-11-3-12-26-43)44-27-13-4-14-28-44)55(63-49-33-19-35-57-53(49)54-50(63)34-20-36-58-54)52(38-42)62(45-29-15-5-16-30-45)46-31-17-6-18-32-46/h1-39H.
What are the key properties of 5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenyl-2-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-1,3-diamine?
5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenyl-2-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-1,3-diamine has a molecular weight of 809.98 g/mol, XLogP of 14.30, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenyl-2-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-1,3-diamine is sourced from PubChem (CID 135131110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).