(6-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)-diphenylphosphane

C42H27P — CID 144896373

IUPAC(6-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccc3cc(-c4ccc5c6c(cccc46)-c4cc6ccccc6cc4-5)ccc3c2)cc1
InChIInChI=1S/C42H27P/c1-3-12-33(13-4-1)43(34-14-5-2-6-15-34)35-21-20-30-24-32(19-18-31(30)25-35)36-22-23-39-41-27-29-11-8-7-10-28(29)26-40(41)38-17-9-16-37(36)42(38)39/h1-27H
InChIKeyXDGYUDUTQHRDAN-UHFFFAOYSA-N
MW562.65 g/mol
LogP10.22
Rot. Bonds4

About (6-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)-diphenylphosphane

(6-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)-diphenylphosphane (PubChem CID 144896373) has the molecular formula C42H27P and a molecular weight of 562.65 g/mol. Its IUPAC name is (6-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)-diphenylphosphane.

Molecular Properties

Compound Name(6-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)-diphenylphosphane
PubChem CID144896373
Molecular FormulaC42H27P
Molecular Weight562.65 g/mol
Exact Mass562.19
IUPAC Name(6-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccc3cc(-c4ccc5c6c(cccc46)-c4cc6ccccc6cc4-5)ccc3c2)cc1
InChIInChI=1S/C42H27P/c1-3-12-33(13-4-1)43(34-14-5-2-6-15-34)35-21-20-30-24-32(19-18-31(30)25-35)36-22-23-39-41-27-29-11-8-7-10-28(29)26-40(41)38-17-9-16-37(36)42(38)39/h1-27H
InChIKeyXDGYUDUTQHRDAN-UHFFFAOYSA-N
XLogP10.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.65
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-benzo[k]fluoranthen-3-ylnaphthalen-1-yl)phenyl]-diphenylphosphane
CID 144896450
3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 166019533
3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 59805129
diphenyl-[6-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-2-yl]phosphane
CID 144896186
3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene
CID 123939461
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019
benzo[k]fluoranthen-3-yl-phenyl-(3-phenylphenyl)phosphane
CID 144896423
pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-yl(diphenyl)phosphane
CID 144896334
3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene
CID 58544598
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene
CID 58544667

Frequently Asked Questions

What is the IUPAC name of (6-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)-diphenylphosphane?
The IUPAC name of (6-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)-diphenylphosphane (CID 144896373) is (6-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)-diphenylphosphane.
What is the SMILES notation for (6-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)-diphenylphosphane?
The canonical SMILES for (6-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)-diphenylphosphane is c1ccc(P(c2ccccc2)c2ccc3cc(-c4ccc5c6c(cccc46)-c4cc6ccccc6cc4-5)ccc3c2)cc1.
What is the InChIKey of (6-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)-diphenylphosphane?
The InChIKey is XDGYUDUTQHRDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27P/c1-3-12-33(13-4-1)43(34-14-5-2-6-15-34)35-21-20-30-24-32(19-18-31(30)25-35)36-22-23-39-41-27-29-11-8-7-10-28(29)26-40(41)38-17-9-16-37(36)42(38)39/h1-27H.
What are the key properties of (6-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)-diphenylphosphane?
(6-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)-diphenylphosphane has a molecular weight of 562.65 g/mol, XLogP of 10.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)-diphenylphosphane is sourced from PubChem (CID 144896373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).