N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]-N-(4-pyridin-3-ylphenyl)naphthalen-2-amine

C50H36N2 — CID 121419359

IUPACN-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]-N-(4-pyridin-3-ylphenyl)naphthalen-2-amine
SMILESCC1(C)c2cc(-c3ccccc3)cc3ccc4cc(-c5ccc(N(c6ccc(-c7cccnc7)cc6)c6ccc7ccccc7c6)cc5)cc1c4c23
InChIInChI=1S/C50H36N2/c1-50(2)46-30-41(33-9-4-3-5-10-33)27-38-14-15-39-28-42(31-47(50)49(39)48(38)46)36-18-23-44(24-19-36)52(45-25-20-34-11-6-7-12-37(34)29-45)43-21-16-35(17-22-43)40-13-8-26-51-32-40/h3-32H,1-2H3
InChIKeyPYIZZIVBVTUYSV-UHFFFAOYSA-N
MW664.85 g/mol
LogP13.65
Rot. Bonds6

About N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]-N-(4-pyridin-3-ylphenyl)naphthalen-2-amine

N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]-N-(4-pyridin-3-ylphenyl)naphthalen-2-amine (PubChem CID 121419359) has the molecular formula C50H36N2 and a molecular weight of 664.85 g/mol. Its IUPAC name is N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]-N-(4-pyridin-3-ylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]-N-(4-pyridin-3-ylphenyl)naphthalen-2-amine
PubChem CID121419359
Molecular FormulaC50H36N2
Molecular Weight664.85 g/mol
Exact Mass664.29
IUPAC NameN-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]-N-(4-pyridin-3-ylphenyl)naphthalen-2-amine
SMILESCC1(C)c2cc(-c3ccccc3)cc3ccc4cc(-c5ccc(N(c6ccc(-c7cccnc7)cc6)c6ccc7ccccc7c6)cc5)cc1c4c23
InChIInChI=1S/C50H36N2/c1-50(2)46-30-41(33-9-4-3-5-10-33)27-38-14-15-39-28-42(31-47(50)49(39)48(38)46)36-18-23-44(24-19-36)52(45-25-20-34-11-6-7-12-37(34)29-45)43-21-16-35(17-22-43)40-13-8-26-51-32-40/h3-32H,1-2H3
InChIKeyPYIZZIVBVTUYSV-UHFFFAOYSA-N
XLogP13.65
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.85
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]-N-phenyl-4-pyridin-3-ylaniline
CID 121419360
6-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(4-methylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine
CID 121419333
4-(N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-naphthalen-2-ylamino]benzonitrile;N-[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-N-phenylpyridin-2-amine;7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-phenyl-N-(4-pyridin-3-ylphenyl)dibenzothiophen-3-amine
CID 164948847
9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 118500358
6-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 121419327
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118428411
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500262
15,15-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;15,15-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
CID 159717494
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-pyridin-3-ylphenyl)aniline
CID 134393257
4-(15,15-dimethyl-10-naphthalen-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-2,3-dimethyl-N-phenyl-N-(4-phenylphenyl)aniline;4-(15,15-dimethyl-10-naphthalen-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-(3,5-dipyridin-3-ylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-[15,15-dimethyl-10-(4-quinolin-8-ylphenyl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]phenyl]-N-phenylpyridin-3-amine
CID 165035991
2-N,7-N-bis(3,5-diphenylphenyl)-9,9-dimethyl-2-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 23561347
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881

Frequently Asked Questions

What is the IUPAC name of N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]-N-(4-pyridin-3-ylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]-N-(4-pyridin-3-ylphenyl)naphthalen-2-amine (CID 121419359) is N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]-N-(4-pyridin-3-ylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]-N-(4-pyridin-3-ylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]-N-(4-pyridin-3-ylphenyl)naphthalen-2-amine is CC1(C)c2cc(-c3ccccc3)cc3ccc4cc(-c5ccc(N(c6ccc(-c7cccnc7)cc6)c6ccc7ccccc7c6)cc5)cc1c4c23.
What is the InChIKey of N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]-N-(4-pyridin-3-ylphenyl)naphthalen-2-amine?
The InChIKey is PYIZZIVBVTUYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2/c1-50(2)46-30-41(33-9-4-3-5-10-33)27-38-14-15-39-28-42(31-47(50)49(39)48(38)46)36-18-23-44(24-19-36)52(45-25-20-34-11-6-7-12-37(34)29-45)43-21-16-35(17-22-43)40-13-8-26-51-32-40/h3-32H,1-2H3.
What are the key properties of N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]-N-(4-pyridin-3-ylphenyl)naphthalen-2-amine?
N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]-N-(4-pyridin-3-ylphenyl)naphthalen-2-amine has a molecular weight of 664.85 g/mol, XLogP of 13.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]-N-(4-pyridin-3-ylphenyl)naphthalen-2-amine is sourced from PubChem (CID 121419359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).