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

C49H34N4 — CID 90125561

IUPAC3-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
SMILESc1ccc(N(c2ccccc2)c2cc3ccc4cc(N(c5ccccc5)c5ccccc5)cc5c4c3c(c2)n5-c2cccc(-c3ccccn3)c2)cc1
InChIInChI=1S/C49H34N4/c1-5-17-38(18-6-1)51(39-19-7-2-8-20-39)43-31-36-27-28-37-32-44(52(40-21-9-3-10-22-40)41-23-11-4-12-24-41)34-47-49(37)48(36)46(33-43)53(47)42-25-15-16-35(30-42)45-26-13-14-29-50-45/h1-34H
InChIKeyJBEUIUCOPYWHOB-UHFFFAOYSA-N
MW678.84 g/mol
LogP13.38
Rot. Bonds8

About 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

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 (PubChem CID 90125561) has the molecular formula C49H34N4 and a molecular weight of 678.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID90125561
Molecular FormulaC49H34N4
Molecular Weight678.84 g/mol
Exact Mass678.28
IUPAC Name3-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
SMILESc1ccc(N(c2ccccc2)c2cc3ccc4cc(N(c5ccccc5)c5ccccc5)cc5c4c3c(c2)n5-c2cccc(-c3ccccn3)c2)cc1
InChIInChI=1S/C49H34N4/c1-5-17-38(18-6-1)51(39-19-7-2-8-20-39)43-31-36-27-28-37-32-44(52(40-21-9-3-10-22-40)41-23-11-4-12-24-41)34-47-49(37)48(36)46(33-43)53(47)42-25-15-16-35(30-42)45-26-13-14-29-50-45/h1-34H
InChIKeyJBEUIUCOPYWHOB-UHFFFAOYSA-N
XLogP13.38
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.84
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 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

N,3,5-triphenyl-N-[3-(3-pyridin-2-ylphenyl)phenyl]aniline
CID 140587043
9,14-bis(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118504672
N-[4-(3-bromophenyl)phenyl]-N-phenyl-22-(3-pyridin-2-ylphenyl)-12-thia-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaen-19-amine
CID 126702320
N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-amine
CID 59211181
3-N,3-N,6-N,6-N-tetraphenyl-9-[4-(4-pyridin-2-ylphenyl)phenyl]carbazole-3,6-diamine
CID 130354274
4-(N-phenylanilino)-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
CID 140906004
3-N,3-N,10-N,10-N-tetraphenyl-15-[4-(1-phenylbenzimidazol-2-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine
CID 90125585
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
15-(3,5-diphenylphenyl)-N,N-diphenyl-10-[4-(N-phenylanilino)naphthalen-1-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine
CID 90125587
9-(4-methyl-2-pyridinyl)-N,14-diphenyl-N-(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 140884549
9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(3-phenyl-5-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 161276127
9-[3-[6-(3-carbazol-9-ylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-4-yl]phenyl]carbazole;9-[3-[2-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenylpyrimidin-4-yl]phenyl]carbazole;N,N-diphenyl-3-[6-phenyl-2-[4-phenyl-6-[3-(N-phenylanilino)phenyl]pyrimidin-2-yl]pyrimidin-4-yl]aniline;2-(4,6-diphenylpyrimidin-2-yl)-4,6-diphenylpyrimidine
CID 158020152

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccccc2)c2cc3ccc4cc(N(c5ccccc5)c5ccccc5)cc5c4c3c(c2)n5-c2cccc(-c3ccccn3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is JBEUIUCOPYWHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N4/c1-5-17-38(18-6-1)51(39-19-7-2-8-20-39)43-31-36-27-28-37-32-44(52(40-21-9-3-10-22-40)41-23-11-4-12-24-41)34-47-49(37)48(36)46(33-43)53(47)42-25-15-16-35(30-42)45-26-13-14-29-50-45/h1-34H.
What are the key properties of 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?
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 has a molecular weight of 678.84 g/mol, XLogP of 13.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90125561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).