N-phenyl-N-[4-[(E)-2-phenylethenyl]phenyl]-10-pyren-1-ylanthracen-9-amine

C50H33N — CID 59294930

IUPACN-phenyl-N-[4-[(E)-2-phenylethenyl]phenyl]-10-pyren-1-ylanthracen-9-amine
SMILESC(=C/c1ccc(N(c2ccccc2)c2c3ccccc3c(-c3ccc4ccc5cccc6ccc3c4c56)c3ccccc23)cc1)\c1ccccc1
InChIInChI=1S/C50H33N/c1-3-12-34(13-4-1)22-23-35-24-30-40(31-25-35)51(39-16-5-2-6-17-39)50-45-20-9-7-18-41(45)49(42-19-8-10-21-46(42)50)44-33-29-38-27-26-36-14-11-15-37-28-32-43(44)48(38)47(36)37/h1-33H/b23-22+
InChIKeyCNFSCWUYSPBDKU-GHVJWSGMSA-N
MW647.82 g/mol
LogP14.20
Rot. Bonds6

About N-phenyl-N-[4-[(E)-2-phenylethenyl]phenyl]-10-pyren-1-ylanthracen-9-amine

N-phenyl-N-[4-[(E)-2-phenylethenyl]phenyl]-10-pyren-1-ylanthracen-9-amine (PubChem CID 59294930) has the molecular formula C50H33N and a molecular weight of 647.82 g/mol. Its IUPAC name is N-phenyl-N-[4-[(E)-2-phenylethenyl]phenyl]-10-pyren-1-ylanthracen-9-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[(E)-2-phenylethenyl]phenyl]-10-pyren-1-ylanthracen-9-amine
PubChem CID59294930
Molecular FormulaC50H33N
Molecular Weight647.82 g/mol
Exact Mass647.26
IUPAC NameN-phenyl-N-[4-[(E)-2-phenylethenyl]phenyl]-10-pyren-1-ylanthracen-9-amine
SMILESC(=C/c1ccc(N(c2ccccc2)c2c3ccccc3c(-c3ccc4ccc5cccc6ccc3c4c56)c3ccccc23)cc1)\c1ccccc1
InChIInChI=1S/C50H33N/c1-3-12-34(13-4-1)22-23-35-24-30-40(31-25-35)51(39-16-5-2-6-17-39)50-45-20-9-7-18-41(45)49(42-19-8-10-21-46(42)50)44-33-29-38-27-26-36-14-11-15-37-28-32-43(44)48(38)47(36)37/h1-33H/b23-22+
InChIKeyCNFSCWUYSPBDKU-GHVJWSGMSA-N
XLogP14.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.82
LogP ≤ 514.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-N,N-diphenyl-10-pyren-1-ylanthracen-9-amine
CID 59294905
9-N,9-N,10-N-triphenyl-10-N-[4-[(Z)-2-phenylethenyl]phenyl]anthracene-9,10-diamine
CID 145488159
N,N-diphenyl-10-(5-pyren-1-ylthiophen-2-yl)anthracen-9-amine
CID 59294877
9,10-dinaphthalen-2-yl-N-phenyl-N-[10-[4-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]anthracen-2-amine
CID 58963549
N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-10-naphthalen-1-yl-N-phenylanthracen-9-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-10-naphthalen-2-yl-N-phenylanthracen-9-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenyl-10-[3-[(E)-2-phenylethenyl]phenyl]anthracen-9-amine
CID 161197016
9,10-dinaphthalen-2-yl-N-(10-naphthalen-2-ylanthracen-9-yl)-N-[4-[(E)-2-phenylethenyl]phenyl]anthracen-2-amine
CID 58963382
N-[4-[(E)-2-[4-(N-anthracen-9-ylanilino)phenyl]ethenyl]phenyl]-N-phenylanthracen-9-amine
CID 59398958
N-(4-methylphenyl)-N-[4-(2-phenylethenyl)phenyl]pyren-1-amine
CID 54213443
7-N,7-N,12-N,12-N-tetraphenylbenzo[a]anthracene-7,12-diamine
CID 59133281
2-N-anthracen-9-yl-9,9-dimethyl-7-N,7-N-bis(4-methylphenyl)-2-N-phenylfluorene-2,7-diamine;9,9-dimethyl-7-N,7-N-bis(4-methylphenyl)-2-N-naphthalen-2-yl-2-N-phenylfluorene-2,7-diamine;9,9-dimethyl-7-N,7-N-bis(4-methylphenyl)-2-N-phenyl-2-N-pyren-1-ylfluorene-2,7-diamine;2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-N,7-N-bis(4-methylphenyl)-2-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N,7-N-tris(4-methylphenyl)-2-N-[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
CID 157169540
N-[4-[(E)-2-[6-(N-anthracen-9-ylanilino)naphthalen-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine
CID 59270571
8-[10-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)anthracen-9-yl]pyren-1-amine
CID 171053181

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[(E)-2-phenylethenyl]phenyl]-10-pyren-1-ylanthracen-9-amine?
The IUPAC name of N-phenyl-N-[4-[(E)-2-phenylethenyl]phenyl]-10-pyren-1-ylanthracen-9-amine (CID 59294930) is N-phenyl-N-[4-[(E)-2-phenylethenyl]phenyl]-10-pyren-1-ylanthracen-9-amine.
What is the SMILES notation for N-phenyl-N-[4-[(E)-2-phenylethenyl]phenyl]-10-pyren-1-ylanthracen-9-amine?
The canonical SMILES for N-phenyl-N-[4-[(E)-2-phenylethenyl]phenyl]-10-pyren-1-ylanthracen-9-amine is C(=C/c1ccc(N(c2ccccc2)c2c3ccccc3c(-c3ccc4ccc5cccc6ccc3c4c56)c3ccccc23)cc1)\c1ccccc1.
What is the InChIKey of N-phenyl-N-[4-[(E)-2-phenylethenyl]phenyl]-10-pyren-1-ylanthracen-9-amine?
The InChIKey is CNFSCWUYSPBDKU-GHVJWSGMSA-N. The full InChI is InChI=1S/C50H33N/c1-3-12-34(13-4-1)22-23-35-24-30-40(31-25-35)51(39-16-5-2-6-17-39)50-45-20-9-7-18-41(45)49(42-19-8-10-21-46(42)50)44-33-29-38-27-26-36-14-11-15-37-28-32-43(44)48(38)47(36)37/h1-33H/b23-22+.
What are the key properties of N-phenyl-N-[4-[(E)-2-phenylethenyl]phenyl]-10-pyren-1-ylanthracen-9-amine?
N-phenyl-N-[4-[(E)-2-phenylethenyl]phenyl]-10-pyren-1-ylanthracen-9-amine has a molecular weight of 647.82 g/mol, XLogP of 14.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[(E)-2-phenylethenyl]phenyl]-10-pyren-1-ylanthracen-9-amine is sourced from PubChem (CID 59294930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).