(4-diphenylphosphanyl-11,11-dimethyl-10H-cyclohepta[b]chromen-6-yl)-diphenylphosphane

C40H34OP2 — CID 143050701

IUPAC(4-diphenylphosphanyl-11,11-dimethyl-10H-cyclohepta[b]chromen-6-yl)-diphenylphosphane
SMILESCC1(C)C2=C(Oc3c(P(c4ccccc4)c4ccccc4)cccc31)C(P(c1ccccc1)c1ccccc1)=CC=CC2
InChIInChI=1S/C40H34OP2/c1-40(2)34-26-15-16-28-36(42(30-18-7-3-8-19-30)31-20-9-4-10-21-31)38(34)41-39-35(40)27-17-29-37(39)43(32-22-11-5-12-23-32)33-24-13-6-14-25-33/h3-25,27-29H,26H2,1-2H3
InChIKeyBJNPQAMDFQJXBQ-UHFFFAOYSA-N
MW592.66 g/mol
LogP8.35
Rot. Bonds6

About (4-diphenylphosphanyl-11,11-dimethyl-10H-cyclohepta[b]chromen-6-yl)-diphenylphosphane

(4-diphenylphosphanyl-11,11-dimethyl-10H-cyclohepta[b]chromen-6-yl)-diphenylphosphane (PubChem CID 143050701) has the molecular formula C40H34OP2 and a molecular weight of 592.66 g/mol. Its IUPAC name is (4-diphenylphosphanyl-11,11-dimethyl-10H-cyclohepta[b]chromen-6-yl)-diphenylphosphane.

Molecular Properties

Compound Name(4-diphenylphosphanyl-11,11-dimethyl-10H-cyclohepta[b]chromen-6-yl)-diphenylphosphane
PubChem CID143050701
Molecular FormulaC40H34OP2
Molecular Weight592.66 g/mol
Exact Mass592.21
IUPAC Name(4-diphenylphosphanyl-11,11-dimethyl-10H-cyclohepta[b]chromen-6-yl)-diphenylphosphane
SMILESCC1(C)C2=C(Oc3c(P(c4ccccc4)c4ccccc4)cccc31)C(P(c1ccccc1)c1ccccc1)=CC=CC2
InChIInChI=1S/C40H34OP2/c1-40(2)34-26-15-16-28-36(42(30-18-7-3-8-19-30)31-20-9-4-10-21-31)38(34)41-39-35(40)27-17-29-37(39)43(32-22-11-5-12-23-32)33-24-13-6-14-25-33/h3-25,27-29H,26H2,1-2H3
InChIKeyBJNPQAMDFQJXBQ-UHFFFAOYSA-N
XLogP8.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.66
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane
CID 168812261
(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;9H-xanthene
CID 88764905
(9,9-dimethyl-5-phenylphosphanylxanthen-4-yl)-diphenylphosphane
CID 145025633
(3-methoxyphenyl)-[5-[(3-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane
CID 138732432
(2-methoxyphenyl)-[5-[(2-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane
CID 154724363
4,5-bis(diphenylphosphoryl)-9,9-dimethylxanthene;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;hydrogen peroxide
CID 161019366
[5-diphenylphosphanyl-9-methyl-9-(2-methylbutyl)xanthen-4-yl]-diphenylphosphane
CID 166647614
[5-diphenylphosphanyl-2-(methoxymethyl)-9,9-dimethylxanthen-4-yl]-diphenylphosphane
CID 126694706
2-[4,5-bis(diphenylphosphanyl)-9,9-dimethylxanthen-1-yl]acetamide
CID 122478627
benzene;4,5-dihydro-1,3-oxazol-2-olate;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;palladium(2+)
CID 11564136
(4-cyclopenta-1,3-dien-1-ylphenyl)-diphenylphosphane
CID 122378027
[5-bis(2-methylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-methylphenoxy)phosphane
CID 20727371

Frequently Asked Questions

What is the IUPAC name of (4-diphenylphosphanyl-11,11-dimethyl-10H-cyclohepta[b]chromen-6-yl)-diphenylphosphane?
The IUPAC name of (4-diphenylphosphanyl-11,11-dimethyl-10H-cyclohepta[b]chromen-6-yl)-diphenylphosphane (CID 143050701) is (4-diphenylphosphanyl-11,11-dimethyl-10H-cyclohepta[b]chromen-6-yl)-diphenylphosphane.
What is the SMILES notation for (4-diphenylphosphanyl-11,11-dimethyl-10H-cyclohepta[b]chromen-6-yl)-diphenylphosphane?
The canonical SMILES for (4-diphenylphosphanyl-11,11-dimethyl-10H-cyclohepta[b]chromen-6-yl)-diphenylphosphane is CC1(C)C2=C(Oc3c(P(c4ccccc4)c4ccccc4)cccc31)C(P(c1ccccc1)c1ccccc1)=CC=CC2.
What is the InChIKey of (4-diphenylphosphanyl-11,11-dimethyl-10H-cyclohepta[b]chromen-6-yl)-diphenylphosphane?
The InChIKey is BJNPQAMDFQJXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34OP2/c1-40(2)34-26-15-16-28-36(42(30-18-7-3-8-19-30)31-20-9-4-10-21-31)38(34)41-39-35(40)27-17-29-37(39)43(32-22-11-5-12-23-32)33-24-13-6-14-25-33/h3-25,27-29H,26H2,1-2H3.
What are the key properties of (4-diphenylphosphanyl-11,11-dimethyl-10H-cyclohepta[b]chromen-6-yl)-diphenylphosphane?
(4-diphenylphosphanyl-11,11-dimethyl-10H-cyclohepta[b]chromen-6-yl)-diphenylphosphane has a molecular weight of 592.66 g/mol, XLogP of 8.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-diphenylphosphanyl-11,11-dimethyl-10H-cyclohepta[b]chromen-6-yl)-diphenylphosphane is sourced from PubChem (CID 143050701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).