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

C51H37N3 — CID 90360955

IUPACN-[4-[6-[(E)-2-[4-(15-ethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]ethenyl]-3-pyridinyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESCCn1c2cccc3ccc4c(-c5ccc(/C=C/c6ccc(-c7ccc(N(c8ccccc8)c8ccc9ccccc9c8)cc7)cn6)cc5)ccc1c4c32
InChIInChI=1S/C51H37N3/c1-2-53-48-14-8-11-39-24-30-47-46(31-32-49(53)51(47)50(39)48)38-18-15-35(16-19-38)17-25-42-26-20-41(34-52-42)37-21-27-44(28-22-37)54(43-12-4-3-5-13-43)45-29-23-36-9-6-7-10-40(36)33-45/h3-34H,2H2,1H3/b25-17+
InChIKeyUZJRLYGNLQDBGK-KOEQRZSOSA-N
MW691.88 g/mol
LogP13.93
Rot. Bonds8

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

N-[4-[6-[(E)-2-[4-(15-ethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]ethenyl]-3-pyridinyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 90360955) has the molecular formula C51H37N3 and a molecular weight of 691.88 g/mol. Its IUPAC name is N-[4-[6-[(E)-2-[4-(15-ethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]ethenyl]-3-pyridinyl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[6-[(E)-2-[4-(15-ethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]ethenyl]-3-pyridinyl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID90360955
Molecular FormulaC51H37N3
Molecular Weight691.88 g/mol
Exact Mass691.30
IUPAC NameN-[4-[6-[(E)-2-[4-(15-ethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]ethenyl]-3-pyridinyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESCCn1c2cccc3ccc4c(-c5ccc(/C=C/c6ccc(-c7ccc(N(c8ccccc8)c8ccc9ccccc9c8)cc7)cn6)cc5)ccc1c4c32
InChIInChI=1S/C51H37N3/c1-2-53-48-14-8-11-39-24-30-47-46(31-32-49(53)51(47)50(39)48)38-18-15-35(16-19-38)17-25-42-26-20-41(34-52-42)37-21-27-44(28-22-37)54(43-12-4-3-5-13-43)45-29-23-36-9-6-7-10-40(36)33-45/h3-34H,2H2,1H3/b25-17+
InChIKeyUZJRLYGNLQDBGK-KOEQRZSOSA-N
XLogP13.93
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.88
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

N-[4-(15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90148408
N-naphthalen-2-yl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91472292
N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 89067663
N-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 91011081
2-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]-9-phenylcarbazole;9-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]carbazole;N-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-2-amine;9-naphthalen-1-yl-10-[4-[(E)-2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene;9-naphthalen-2-yl-10-[4-[(E)-2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene;9-[4-[(E)-2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]-10-(4-phenylphenyl)anthracene;9-phenyl-10-[4-[(E)-2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene
CID 162252685
4-[N-naphthalen-1-yl-4-[(E)-2-[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)phenyl]ethenyl]anilino]benzonitrile
CID 90361003
N-(4-isocyanophenyl)-5-[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)phenyl]-N-(4-phenylphenyl)pyridin-2-amine
CID 123678309
4-(4-cyano-N-[4-[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)phenyl]phenyl]anilino)benzonitrile
CID 90306488
N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine
CID 166589657
6-naphthalen-2-yl-N-[4-[2-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 76557049
4-(3-ethyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-18-yl)-N,N-diphenylaniline
CID 89341674
1-ethyl-3,4-dinaphthalen-2-yl-2,5-bis(4-pyren-1-ylphenyl)pyrrole
CID 46846136

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[(E)-2-[4-(15-ethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]ethenyl]-3-pyridinyl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[4-[6-[(E)-2-[4-(15-ethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]ethenyl]-3-pyridinyl]phenyl]-N-phenylnaphthalen-2-amine (CID 90360955) is N-[4-[6-[(E)-2-[4-(15-ethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]ethenyl]-3-pyridinyl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[6-[(E)-2-[4-(15-ethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]ethenyl]-3-pyridinyl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[4-[6-[(E)-2-[4-(15-ethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]ethenyl]-3-pyridinyl]phenyl]-N-phenylnaphthalen-2-amine is CCn1c2cccc3ccc4c(-c5ccc(/C=C/c6ccc(-c7ccc(N(c8ccccc8)c8ccc9ccccc9c8)cc7)cn6)cc5)ccc1c4c32.
What is the InChIKey of N-[4-[6-[(E)-2-[4-(15-ethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]ethenyl]-3-pyridinyl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is UZJRLYGNLQDBGK-KOEQRZSOSA-N. The full InChI is InChI=1S/C51H37N3/c1-2-53-48-14-8-11-39-24-30-47-46(31-32-49(53)51(47)50(39)48)38-18-15-35(16-19-38)17-25-42-26-20-41(34-52-42)37-21-27-44(28-22-37)54(43-12-4-3-5-13-43)45-29-23-36-9-6-7-10-40(36)33-45/h3-34H,2H2,1H3/b25-17+.
What are the key properties of N-[4-[6-[(E)-2-[4-(15-ethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]ethenyl]-3-pyridinyl]phenyl]-N-phenylnaphthalen-2-amine?
N-[4-[6-[(E)-2-[4-(15-ethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]ethenyl]-3-pyridinyl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 691.88 g/mol, XLogP of 13.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[(E)-2-[4-(15-ethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]ethenyl]-3-pyridinyl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 90360955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).