N-phenanthren-2-yl-N-(4-phenylphenyl)fluoranthen-8-amine

C42H27N — CID 166875448

IUPACN-phenanthren-2-yl-N-(4-phenylphenyl)fluoranthen-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3cccc5cccc-4c35)c3ccc4c(ccc5ccccc54)c3)cc2)cc1
InChIInChI=1S/C42H27N/c1-2-8-28(9-3-1)29-18-20-33(21-19-29)43(34-22-24-37-32(26-34)17-16-30-10-4-5-13-36(30)37)35-23-25-38-39-14-6-11-31-12-7-15-40(42(31)39)41(38)27-35/h1-27H
InChIKeyFNNLGPADVSDZDI-UHFFFAOYSA-N
MW545.69 g/mol
LogP11.93
Rot. Bonds4

About N-phenanthren-2-yl-N-(4-phenylphenyl)fluoranthen-8-amine

N-phenanthren-2-yl-N-(4-phenylphenyl)fluoranthen-8-amine (PubChem CID 166875448) has the molecular formula C42H27N and a molecular weight of 545.69 g/mol. Its IUPAC name is N-phenanthren-2-yl-N-(4-phenylphenyl)fluoranthen-8-amine.

Molecular Properties

Compound NameN-phenanthren-2-yl-N-(4-phenylphenyl)fluoranthen-8-amine
PubChem CID166875448
Molecular FormulaC42H27N
Molecular Weight545.69 g/mol
Exact Mass545.21
IUPAC NameN-phenanthren-2-yl-N-(4-phenylphenyl)fluoranthen-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3cccc5cccc-4c35)c3ccc4c(ccc5ccccc54)c3)cc2)cc1
InChIInChI=1S/C42H27N/c1-2-8-28(9-3-1)29-18-20-33(21-19-29)43(34-22-24-37-32(26-34)17-16-30-10-4-5-13-36(30)37)35-23-25-38-39-14-6-11-31-12-7-15-40(42(31)39)41(38)27-35/h1-27H
InChIKeyFNNLGPADVSDZDI-UHFFFAOYSA-N
XLogP11.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.69
LogP ≤ 511.93
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

N-[4-[4-(N-fluoranthen-8-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-8-amine;N-[4-[4-(N-phenanthren-2-ylanilino)phenyl]phenyl]-N-phenylphenanthren-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine
CID 158524889
4-benzo[c]phenanthren-1-yl-3-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 167184269
5-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166589752
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
N-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline
CID 170054592
N-(3,4-diphenylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
CID 177080941
N-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)fluoranthen-8-amine
CID 166875391
N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine
CID 170135801
N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine
CID 167181851
N-(4-benzo[g]phenanthren-4-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 167183300
2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
CID 59754912
2-N-naphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-phenylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N,7-N-diphenylphenanthrene-2,7-diamine
CID 59754883

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-2-yl-N-(4-phenylphenyl)fluoranthen-8-amine?
The IUPAC name of N-phenanthren-2-yl-N-(4-phenylphenyl)fluoranthen-8-amine (CID 166875448) is N-phenanthren-2-yl-N-(4-phenylphenyl)fluoranthen-8-amine.
What is the SMILES notation for N-phenanthren-2-yl-N-(4-phenylphenyl)fluoranthen-8-amine?
The canonical SMILES for N-phenanthren-2-yl-N-(4-phenylphenyl)fluoranthen-8-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)-c3cccc5cccc-4c35)c3ccc4c(ccc5ccccc54)c3)cc2)cc1.
What is the InChIKey of N-phenanthren-2-yl-N-(4-phenylphenyl)fluoranthen-8-amine?
The InChIKey is FNNLGPADVSDZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N/c1-2-8-28(9-3-1)29-18-20-33(21-19-29)43(34-22-24-37-32(26-34)17-16-30-10-4-5-13-36(30)37)35-23-25-38-39-14-6-11-31-12-7-15-40(42(31)39)41(38)27-35/h1-27H.
What are the key properties of N-phenanthren-2-yl-N-(4-phenylphenyl)fluoranthen-8-amine?
N-phenanthren-2-yl-N-(4-phenylphenyl)fluoranthen-8-amine has a molecular weight of 545.69 g/mol, XLogP of 11.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-2-yl-N-(4-phenylphenyl)fluoranthen-8-amine is sourced from PubChem (CID 166875448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).