1,9-dihydropyren-1-yl-(8,10-dihydropyren-1-yl)-phenylphosphane

C38H27P — CID 154932532

IUPAC1,9-dihydropyren-1-yl-(8,10-dihydropyren-1-yl)-phenylphosphane
SMILESC1=Cc2ccc3ccc(P(c4ccccc4)C4C=Cc5ccc6cccc7c6c5C4=CC7)c4c3c2C(=CC4)C1
InChIInChI=1S/C38H27P/c1-2-10-30(11-3-1)39(33-22-18-28-14-12-24-6-4-8-26-16-20-31(33)37(28)35(24)26)34-23-19-29-15-13-25-7-5-9-27-17-21-32(34)38(29)36(25)27/h1-8,10-15,17-20,22-23,33H,9,16,21H2
InChIKeyUZPRSKGESIQTCF-UHFFFAOYSA-N
MW514.61 g/mol
LogP8.82
Rot. Bonds3

About 1,9-dihydropyren-1-yl-(8,10-dihydropyren-1-yl)-phenylphosphane

1,9-dihydropyren-1-yl-(8,10-dihydropyren-1-yl)-phenylphosphane (PubChem CID 154932532) has the molecular formula C38H27P and a molecular weight of 514.61 g/mol. Its IUPAC name is 1,9-dihydropyren-1-yl-(8,10-dihydropyren-1-yl)-phenylphosphane.

Molecular Properties

Compound Name1,9-dihydropyren-1-yl-(8,10-dihydropyren-1-yl)-phenylphosphane
PubChem CID154932532
Molecular FormulaC38H27P
Molecular Weight514.61 g/mol
Exact Mass514.19
IUPAC Name1,9-dihydropyren-1-yl-(8,10-dihydropyren-1-yl)-phenylphosphane
SMILESC1=Cc2ccc3ccc(P(c4ccccc4)C4C=Cc5ccc6cccc7c6c5C4=CC7)c4c3c2C(=CC4)C1
InChIInChI=1S/C38H27P/c1-2-10-30(11-3-1)39(33-22-18-28-14-12-24-6-4-8-26-16-20-31(33)37(28)35(24)26)34-23-19-29-15-13-25-7-5-9-27-17-21-32(34)38(29)36(25)27/h1-8,10-15,17-20,22-23,33H,9,16,21H2
InChIKeyUZPRSKGESIQTCF-UHFFFAOYSA-N
XLogP8.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.61
LogP ≤ 58.82
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

N-(4-ethenylphenyl)-N-phenyl-1,9-dihydropyren-1-amine
CID 89006319
8-propan-2-yl-1,9-dihydropyrene
CID 140739340
4-(1,9-dihydropyren-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 123258415
2'-(8,10-dihydropyren-1-yl)-7'-pyren-1-yl-9,9'-spirobi[fluorene]
CID 123822403
1-[4-[2-[3-(4,6-dihydropyren-1-yl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]pyrene
CID 143388675
6-[(E)-3-phenylprop-2-enyl]-1,9-dihydropyrene
CID 144673847
5-(8,10-dihydropyren-1-yl)-10-naphthalen-1-ylbenzo[g]quinoline
CID 59183905
2-[6-[4-[4-[4-(4,6-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyren-1-yl]-2,3-dihydro-1-benzothiophene
CID 89147245
6-[2-[3-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[3-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[4-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;1-[2-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]pyrene
CID 161480275
6-(3-phenylpropyl)-1,9-dihydropyrene
CID 144748557
8-[7-(8,10-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]-1,9-dihydropyrene
CID 123242864
N-[4-[2-[4-[4-[2-[4-[N-(4,6-dihydropyren-1-yl)-4-methylanilino]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)pyren-1-amine
CID 89375249

Frequently Asked Questions

What is the IUPAC name of 1,9-dihydropyren-1-yl-(8,10-dihydropyren-1-yl)-phenylphosphane?
The IUPAC name of 1,9-dihydropyren-1-yl-(8,10-dihydropyren-1-yl)-phenylphosphane (CID 154932532) is 1,9-dihydropyren-1-yl-(8,10-dihydropyren-1-yl)-phenylphosphane.
What is the SMILES notation for 1,9-dihydropyren-1-yl-(8,10-dihydropyren-1-yl)-phenylphosphane?
The canonical SMILES for 1,9-dihydropyren-1-yl-(8,10-dihydropyren-1-yl)-phenylphosphane is C1=Cc2ccc3ccc(P(c4ccccc4)C4C=Cc5ccc6cccc7c6c5C4=CC7)c4c3c2C(=CC4)C1.
What is the InChIKey of 1,9-dihydropyren-1-yl-(8,10-dihydropyren-1-yl)-phenylphosphane?
The InChIKey is UZPRSKGESIQTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27P/c1-2-10-30(11-3-1)39(33-22-18-28-14-12-24-6-4-8-26-16-20-31(33)37(28)35(24)26)34-23-19-29-15-13-25-7-5-9-27-17-21-32(34)38(29)36(25)27/h1-8,10-15,17-20,22-23,33H,9,16,21H2.
What are the key properties of 1,9-dihydropyren-1-yl-(8,10-dihydropyren-1-yl)-phenylphosphane?
1,9-dihydropyren-1-yl-(8,10-dihydropyren-1-yl)-phenylphosphane has a molecular weight of 514.61 g/mol, XLogP of 8.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dihydropyren-1-yl-(8,10-dihydropyren-1-yl)-phenylphosphane is sourced from PubChem (CID 154932532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).