N-[4-[(E)-1,2-diphenyl-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine

C50H34N4 — CID 90363907

IUPACN-[4-[(E)-1,2-diphenyl-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(/C(=C(/c2ccccc2)c2cc3ccc4cccc5c4c3c(c2)n5-c2ccccc2)c2ccc(N(c3ccccn3)c3ccccn3)cc2)cc1
InChIInChI=1S/C50H34N4/c1-4-15-35(16-5-1)47(38-27-29-42(30-28-38)54(45-23-10-12-31-51-45)46-24-11-13-32-52-46)48(36-17-6-2-7-18-36)40-33-39-26-25-37-19-14-22-43-49(37)50(39)44(34-40)53(43)41-20-8-3-9-21-41/h1-34H/b48-47+
InChIKeySJIXGLHZMAEWJX-QJGAVIKSSA-N
MW690.85 g/mol
LogP12.64
Rot. Bonds8

About N-[4-[(E)-1,2-diphenyl-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine

N-[4-[(E)-1,2-diphenyl-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine (PubChem CID 90363907) has the molecular formula C50H34N4 and a molecular weight of 690.85 g/mol. Its IUPAC name is N-[4-[(E)-1,2-diphenyl-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[4-[(E)-1,2-diphenyl-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine
PubChem CID90363907
Molecular FormulaC50H34N4
Molecular Weight690.85 g/mol
Exact Mass690.28
IUPAC NameN-[4-[(E)-1,2-diphenyl-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(/C(=C(/c2ccccc2)c2cc3ccc4cccc5c4c3c(c2)n5-c2ccccc2)c2ccc(N(c3ccccn3)c3ccccn3)cc2)cc1
InChIInChI=1S/C50H34N4/c1-4-15-35(16-5-1)47(38-27-29-42(30-28-38)54(45-23-10-12-31-51-45)46-24-11-13-32-52-46)48(36-17-6-2-7-18-36)40-33-39-26-25-37-19-14-22-43-49(37)50(39)44(34-40)53(43)41-20-8-3-9-21-41/h1-34H/b48-47+
InChIKeySJIXGLHZMAEWJX-QJGAVIKSSA-N
XLogP12.64
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[(E)-1,2-diphenyl-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine with MolForge

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Related Compounds

N-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]pyridin-2-amine
CID 88554999
3-N,3-N,10-N,10-N-tetraphenyl-15-(3-pyridin-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine
CID 90125561
N-[4-[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90128481
9-(4-carbazol-9-ylphenyl)-5,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene;16-(9,9-dimethylfluoren-2-yl)-9-phenyl-5,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;N-[4-(9-phenyl-5,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine
CID 159556485
2-N,8-N-diphenyl-2-N,8-N-bis(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)dibenzothiophene-2,8-diamine
CID 90249633
N-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90148393
2-N,2-N,7-N,7-N-tetrapyridin-2-ylnaphthalene-2,7-diamine
CID 102277389
4-[(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-(6-pyridin-2-yl-3-pyridinyl)amino]benzonitrile
CID 90306498
N,15-diphenyl-N-[4-[5-(N-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)anilino)naphthalen-1-yl]phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
CID 90249615
4-N-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl]phenyl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 90148410
4-(N-[4-[2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]phenyl]anilino)benzonitrile
CID 123965979
N-phenyl-N-[4-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]phenyl]phenanthren-9-amine
CID 90363921

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-1,2-diphenyl-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of N-[4-[(E)-1,2-diphenyl-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine (CID 90363907) is N-[4-[(E)-1,2-diphenyl-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for N-[4-[(E)-1,2-diphenyl-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for N-[4-[(E)-1,2-diphenyl-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine is c1ccc(/C(=C(/c2ccccc2)c2cc3ccc4cccc5c4c3c(c2)n5-c2ccccc2)c2ccc(N(c3ccccn3)c3ccccn3)cc2)cc1.
What is the InChIKey of N-[4-[(E)-1,2-diphenyl-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is SJIXGLHZMAEWJX-QJGAVIKSSA-N. The full InChI is InChI=1S/C50H34N4/c1-4-15-35(16-5-1)47(38-27-29-42(30-28-38)54(45-23-10-12-31-51-45)46-24-11-13-32-52-46)48(36-17-6-2-7-18-36)40-33-39-26-25-37-19-14-22-43-49(37)50(39)44(34-40)53(43)41-20-8-3-9-21-41/h1-34H/b48-47+.
What are the key properties of N-[4-[(E)-1,2-diphenyl-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine?
N-[4-[(E)-1,2-diphenyl-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 690.85 g/mol, XLogP of 12.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-1,2-diphenyl-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 90363907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).