3-phenyl-N-[4-(10-phenylphenanthren-1-yl)phenyl]-N-(4-phenylphenyl)aniline

C50H35N — CID 146631737

IUPAC3-phenyl-N-[4-(10-phenylphenanthren-1-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4c(-c4ccccc4)cc4ccccc45)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C50H35N/c1-4-14-36(15-5-1)38-26-30-43(31-27-38)51(45-22-12-21-41(34-45)37-16-6-2-7-17-37)44-32-28-40(29-33-44)47-24-13-25-48-46-23-11-10-20-42(46)35-49(50(47)48)39-18-8-3-9-19-39/h1-35H
InChIKeyZLXHMULMLSWYAX-UHFFFAOYSA-N
MW649.84 g/mol
LogP14.13
Rot. Bonds7

About 3-phenyl-N-[4-(10-phenylphenanthren-1-yl)phenyl]-N-(4-phenylphenyl)aniline

3-phenyl-N-[4-(10-phenylphenanthren-1-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 146631737) has the molecular formula C50H35N and a molecular weight of 649.84 g/mol. Its IUPAC name is 3-phenyl-N-[4-(10-phenylphenanthren-1-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-phenyl-N-[4-(10-phenylphenanthren-1-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID146631737
Molecular FormulaC50H35N
Molecular Weight649.84 g/mol
Exact Mass649.28
IUPAC Name3-phenyl-N-[4-(10-phenylphenanthren-1-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4c(-c4ccccc4)cc4ccccc45)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C50H35N/c1-4-14-36(15-5-1)38-26-30-43(31-27-38)51(45-22-12-21-41(34-45)37-16-6-2-7-17-37)44-32-28-40(29-33-44)47-24-13-25-48-46-23-11-10-20-42(46)35-49(50(47)48)39-18-8-3-9-19-39/h1-35H
InChIKeyZLXHMULMLSWYAX-UHFFFAOYSA-N
XLogP14.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.84
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 142614555
3-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline;3-phenanthren-9-yl-N-phenyl-N-(4-phenylphenyl)aniline;N-(3-phenanthren-9-ylphenyl)-3-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;3-phenanthren-9-yl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 159059412
N-(3-chrysen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline
CID 170141257
3-phenanthren-3-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 142614449
3-(3,4-diphenylphenyl)-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 164832159
N-(3-phenanthren-9-ylphenyl)-2,6-diphenyl-N-(4-phenylphenyl)aniline
CID 177079964
N-[3-(4-benzo[c]phenanthren-1-ylphenyl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 167182328
N-(4-phenanthren-9-ylphenyl)-N-[4-(3-phenanthren-9-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956539
N-phenyl-N-(4-phenylphenyl)-3-(3-triphenylen-1-ylphenyl)aniline
CID 153357597
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324009
N,N-diphenyl-4-[4-[11-[4-[4-(N-phenylanilino)phenyl]phenyl]chrysen-5-yl]phenyl]aniline
CID 59987791
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-(10-phenylphenanthren-1-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-phenyl-N-[4-(10-phenylphenanthren-1-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 146631737) is 3-phenyl-N-[4-(10-phenylphenanthren-1-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-phenyl-N-[4-(10-phenylphenanthren-1-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-phenyl-N-[4-(10-phenylphenanthren-1-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4c(-c4ccccc4)cc4ccccc45)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 3-phenyl-N-[4-(10-phenylphenanthren-1-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is ZLXHMULMLSWYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N/c1-4-14-36(15-5-1)38-26-30-43(31-27-38)51(45-22-12-21-41(34-45)37-16-6-2-7-17-37)44-32-28-40(29-33-44)47-24-13-25-48-46-23-11-10-20-42(46)35-49(50(47)48)39-18-8-3-9-19-39/h1-35H.
What are the key properties of 3-phenyl-N-[4-(10-phenylphenanthren-1-yl)phenyl]-N-(4-phenylphenyl)aniline?
3-phenyl-N-[4-(10-phenylphenanthren-1-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 649.84 g/mol, XLogP of 14.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[4-(10-phenylphenanthren-1-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 146631737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).