3,7-dimethyl-5-phenyl-2,8-bis(phenylmethoxy)benzo[b]phosphindole

C34H29O2P — CID 59167412

IUPAC3,7-dimethyl-5-phenyl-2,8-bis(phenylmethoxy)benzo[b]phosphindole
SMILESCc1cc2c(cc1OCc1ccccc1)c1cc(OCc3ccccc3)c(C)cc1p2-c1ccccc1
InChIInChI=1S/C34H29O2P/c1-24-18-33-29(20-31(24)35-22-26-12-6-3-7-13-26)30-21-32(36-23-27-14-8-4-9-15-27)25(2)19-34(30)37(33)28-16-10-5-11-17-28/h3-21H,22-23H2,1-2H3
InChIKeyWZNPLAIAESKWHL-UHFFFAOYSA-N
MW500.58 g/mol
LogP9.74
Rot. Bonds7

About 3,7-dimethyl-5-phenyl-2,8-bis(phenylmethoxy)benzo[b]phosphindole

3,7-dimethyl-5-phenyl-2,8-bis(phenylmethoxy)benzo[b]phosphindole (PubChem CID 59167412) has the molecular formula C34H29O2P and a molecular weight of 500.58 g/mol. Its IUPAC name is 3,7-dimethyl-5-phenyl-2,8-bis(phenylmethoxy)benzo[b]phosphindole.

Molecular Properties

Compound Name3,7-dimethyl-5-phenyl-2,8-bis(phenylmethoxy)benzo[b]phosphindole
PubChem CID59167412
Molecular FormulaC34H29O2P
Molecular Weight500.58 g/mol
Exact Mass500.19
IUPAC Name3,7-dimethyl-5-phenyl-2,8-bis(phenylmethoxy)benzo[b]phosphindole
SMILESCc1cc2c(cc1OCc1ccccc1)c1cc(OCc3ccccc3)c(C)cc1p2-c1ccccc1
InChIInChI=1S/C34H29O2P/c1-24-18-33-29(20-31(24)35-22-26-12-6-3-7-13-26)30-21-32(36-23-27-14-8-4-9-15-27)25(2)19-34(30)37(33)28-16-10-5-11-17-28/h3-21H,22-23H2,1-2H3
InChIKeyWZNPLAIAESKWHL-UHFFFAOYSA-N
XLogP9.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.58
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,7-dimethyl-5-phenyl-2,8-bis(phenylmethoxy)benzo[b]phosphindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,19-dimethyl-5,20-bis(phenylmethoxy)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
CID 102507798
1,6-dimethyl-7-phenylmethoxy-4-propan-2-ylnaphthalene
CID 163194899
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
(2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid
CID 164892116
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
5,13-dimethoxy-10-methyl-4,14-bis(phenylmethoxy)tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one
CID 135025053
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
2-bromo-4-methyl-5-phenylmethoxypyridine
CID 166661810
methyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate
CID 71187027
2-bromo-5-methyl-4-phenylmethoxybenzoic acid
CID 151110927
2-fluoro-5-methyl-4-phenylmethoxybenzoic acid
CID 163198021
6,7-dimethoxy-2-methyl-1-phenyl-4-phenylmethoxynaphthalene
CID 170010936

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-5-phenyl-2,8-bis(phenylmethoxy)benzo[b]phosphindole?
The IUPAC name of 3,7-dimethyl-5-phenyl-2,8-bis(phenylmethoxy)benzo[b]phosphindole (CID 59167412) is 3,7-dimethyl-5-phenyl-2,8-bis(phenylmethoxy)benzo[b]phosphindole.
What is the SMILES notation for 3,7-dimethyl-5-phenyl-2,8-bis(phenylmethoxy)benzo[b]phosphindole?
The canonical SMILES for 3,7-dimethyl-5-phenyl-2,8-bis(phenylmethoxy)benzo[b]phosphindole is Cc1cc2c(cc1OCc1ccccc1)c1cc(OCc3ccccc3)c(C)cc1p2-c1ccccc1.
What is the InChIKey of 3,7-dimethyl-5-phenyl-2,8-bis(phenylmethoxy)benzo[b]phosphindole?
The InChIKey is WZNPLAIAESKWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29O2P/c1-24-18-33-29(20-31(24)35-22-26-12-6-3-7-13-26)30-21-32(36-23-27-14-8-4-9-15-27)25(2)19-34(30)37(33)28-16-10-5-11-17-28/h3-21H,22-23H2,1-2H3.
What are the key properties of 3,7-dimethyl-5-phenyl-2,8-bis(phenylmethoxy)benzo[b]phosphindole?
3,7-dimethyl-5-phenyl-2,8-bis(phenylmethoxy)benzo[b]phosphindole has a molecular weight of 500.58 g/mol, XLogP of 9.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-5-phenyl-2,8-bis(phenylmethoxy)benzo[b]phosphindole is sourced from PubChem (CID 59167412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).