5-(7,10-diphenylfluoranthen-8-yl)naphthalen-1-amine

C38H25N — CID 166868480

IUPAC5-(7,10-diphenylfluoranthen-8-yl)naphthalen-1-amine
SMILESNc1cccc2c(-c3cc(-c4ccccc4)c4c(c3-c3ccccc3)-c3cccc5cccc-4c35)cccc12
InChIInChI=1S/C38H25N/c39-34-22-10-18-27-28(17-9-19-29(27)34)33-23-32(24-11-3-1-4-12-24)37-30-20-7-15-25-16-8-21-31(35(25)30)38(37)36(33)26-13-5-2-6-14-26/h1-23H,39H2
InChIKeyZSGMEEKXCVEJKK-UHFFFAOYSA-N
MW495.63 g/mol
LogP10.22
Rot. Bonds3

About 5-(7,10-diphenylfluoranthen-8-yl)naphthalen-1-amine

5-(7,10-diphenylfluoranthen-8-yl)naphthalen-1-amine (PubChem CID 166868480) has the molecular formula C38H25N and a molecular weight of 495.63 g/mol. Its IUPAC name is 5-(7,10-diphenylfluoranthen-8-yl)naphthalen-1-amine.

Molecular Properties

Compound Name5-(7,10-diphenylfluoranthen-8-yl)naphthalen-1-amine
PubChem CID166868480
Molecular FormulaC38H25N
Molecular Weight495.63 g/mol
Exact Mass495.20
IUPAC Name5-(7,10-diphenylfluoranthen-8-yl)naphthalen-1-amine
SMILESNc1cccc2c(-c3cc(-c4ccccc4)c4c(c3-c3ccccc3)-c3cccc5cccc-4c35)cccc12
InChIInChI=1S/C38H25N/c39-34-22-10-18-27-28(17-9-19-29(27)34)33-23-32(24-11-3-1-4-12-24)37-30-20-7-15-25-16-8-21-31(35(25)30)38(37)36(33)26-13-5-2-6-14-26/h1-23H,39H2
InChIKeyZSGMEEKXCVEJKK-UHFFFAOYSA-N
XLogP10.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.63
LogP ≤ 510.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7,10-diphenyl-8-(4-phenylphenyl)fluoranthene
CID 59844130
8-phenyl-7,10-bis[3-(3-phenylphenyl)phenyl]fluoranthene
CID 123560042
4-[3-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]aniline
CID 166868488
2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4,6-diphenylpyrimidine
CID 118314536
3-[2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-6-phenylpyrimidin-4-yl]aniline
CID 166868436
4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile
CID 166868316
4-[3-(7,10-diphenylfluoranthen-8-yl)-5-pyridin-4-ylphenyl]pyridine
CID 118028340
tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane
CID 160764907
2',7'-bis(7,10-diphenylfluoranthen-8-yl)-9,9'-spirobi[fluorene]
CID 86040255
8-[3,5-bis(diphenylphosphoryl)phenyl]-7,10-diphenylfluoranthene
CID 118028356
4-(7,8,10-triphenylfluoranthen-2-yl)naphthalene-1-carbonitrile
CID 166868417
9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535154

Frequently Asked Questions

What is the IUPAC name of 5-(7,10-diphenylfluoranthen-8-yl)naphthalen-1-amine?
The IUPAC name of 5-(7,10-diphenylfluoranthen-8-yl)naphthalen-1-amine (CID 166868480) is 5-(7,10-diphenylfluoranthen-8-yl)naphthalen-1-amine.
What is the SMILES notation for 5-(7,10-diphenylfluoranthen-8-yl)naphthalen-1-amine?
The canonical SMILES for 5-(7,10-diphenylfluoranthen-8-yl)naphthalen-1-amine is Nc1cccc2c(-c3cc(-c4ccccc4)c4c(c3-c3ccccc3)-c3cccc5cccc-4c35)cccc12.
What is the InChIKey of 5-(7,10-diphenylfluoranthen-8-yl)naphthalen-1-amine?
The InChIKey is ZSGMEEKXCVEJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N/c39-34-22-10-18-27-28(17-9-19-29(27)34)33-23-32(24-11-3-1-4-12-24)37-30-20-7-15-25-16-8-21-31(35(25)30)38(37)36(33)26-13-5-2-6-14-26/h1-23H,39H2.
What are the key properties of 5-(7,10-diphenylfluoranthen-8-yl)naphthalen-1-amine?
5-(7,10-diphenylfluoranthen-8-yl)naphthalen-1-amine has a molecular weight of 495.63 g/mol, XLogP of 10.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7,10-diphenylfluoranthen-8-yl)naphthalen-1-amine is sourced from PubChem (CID 166868480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).