1,3-bis[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]-2-phenyl-4,5,6,7-tetrahydroisophosphindole

C110H95O12P — CID 102084308

IUPAC1,3-bis[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]-2-phenyl-4,5,6,7-tetrahydroisophosphindole
SMILESc1ccc(COc2cc(COc3cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)cc(-c4c5c(c(-c6cc(OCc7cc(OCc8ccccc8)cc(OCc8ccccc8)c7)cc(OCc7cc(OCc8ccccc8)cc(OCc8ccccc8)c7)c6)p4-c4ccccc4)CCCC5)c3)cc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C110H95O12P/c1-10-30-80(31-11-1)68-111-94-50-88(51-95(62-94)112-69-81-32-12-2-13-33-81)76-119-102-58-92(59-103(66-102)120-77-89-52-96(113-70-82-34-14-3-15-35-82)63-97(53-89)114-71-83-36-16-4-17-37-83)109-107-48-28-29-49-108(107)110(123(109)106-46-26-9-27-47-106)93-60-104(121-78-90-54-98(115-72-84-38-18-5-19-39-84)64-99(55-90)116-73-85-40-20-6-21-41-85)67-105(61-93)122-79-91-56-100(117-74-86-42-22-7-23-43-86)65-101(57-91)118-75-87-44-24-8-25-45-87/h1-27,30-47,50-67H,28-29,48-49,68-79H2
InChIKeyMMJBECBRSJTMPJ-UHFFFAOYSA-N
MW1639.93 g/mol
LogP26.82
Rot. Bonds39

About 1,3-bis[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]-2-phenyl-4,5,6,7-tetrahydroisophosphindole

1,3-bis[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]-2-phenyl-4,5,6,7-tetrahydroisophosphindole (PubChem CID 102084308) has the molecular formula C110H95O12P and a molecular weight of 1639.93 g/mol. Its IUPAC name is 1,3-bis[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]-2-phenyl-4,5,6,7-tetrahydroisophosphindole.

Molecular Properties

Compound Name1,3-bis[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]-2-phenyl-4,5,6,7-tetrahydroisophosphindole
PubChem CID102084308
Molecular FormulaC110H95O12P
Molecular Weight1639.93 g/mol
Exact Mass1638.66
IUPAC Name1,3-bis[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]-2-phenyl-4,5,6,7-tetrahydroisophosphindole
SMILESc1ccc(COc2cc(COc3cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)cc(-c4c5c(c(-c6cc(OCc7cc(OCc8ccccc8)cc(OCc8ccccc8)c7)cc(OCc7cc(OCc8ccccc8)cc(OCc8ccccc8)c7)c6)p4-c4ccccc4)CCCC5)c3)cc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C110H95O12P/c1-10-30-80(31-11-1)68-111-94-50-88(51-95(62-94)112-69-81-32-12-2-13-33-81)76-119-102-58-92(59-103(66-102)120-77-89-52-96(113-70-82-34-14-3-15-35-82)63-97(53-89)114-71-83-36-16-4-17-37-83)109-107-48-28-29-49-108(107)110(123(109)106-46-26-9-27-47-106)93-60-104(121-78-90-54-98(115-72-84-38-18-5-19-39-84)64-99(55-90)116-73-85-40-20-6-21-41-85)67-105(61-93)122-79-91-56-100(117-74-86-42-22-7-23-43-86)65-101(57-91)118-75-87-44-24-8-25-45-87/h1-27,30-47,50-67H,28-29,48-49,68-79H2
InChIKeyMMJBECBRSJTMPJ-UHFFFAOYSA-N
XLogP26.82
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds39
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001639.93
LogP ≤ 526.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1,3-bis[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]-2-phenyl-4,5,6,7-tetrahydroisophosphindole with MolForge

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Related Compounds

[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
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CID 102395902
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
CID 101273679
1,4-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,5-diiodobenzene
CID 101408465
1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene
CID 59422757
[2,6-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 101008055
1-(cyclobuten-1-yl)-3-phenylmethoxybenzene
CID 102186387
1,3-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]-2H-imidazole
CID 101386591
5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
CID 101072017
1-iodo-3,5-bis(phenylmethoxy)benzene
CID 15389195
2-N-(3-phenylmethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,2-diamine
CID 86689306
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]-2-phenyl-4,5,6,7-tetrahydroisophosphindole?
The IUPAC name of 1,3-bis[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]-2-phenyl-4,5,6,7-tetrahydroisophosphindole (CID 102084308) is 1,3-bis[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]-2-phenyl-4,5,6,7-tetrahydroisophosphindole.
What is the SMILES notation for 1,3-bis[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]-2-phenyl-4,5,6,7-tetrahydroisophosphindole?
The canonical SMILES for 1,3-bis[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]-2-phenyl-4,5,6,7-tetrahydroisophosphindole is c1ccc(COc2cc(COc3cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)cc(-c4c5c(c(-c6cc(OCc7cc(OCc8ccccc8)cc(OCc8ccccc8)c7)cc(OCc7cc(OCc8ccccc8)cc(OCc8ccccc8)c7)c6)p4-c4ccccc4)CCCC5)c3)cc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 1,3-bis[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]-2-phenyl-4,5,6,7-tetrahydroisophosphindole?
The InChIKey is MMJBECBRSJTMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H95O12P/c1-10-30-80(31-11-1)68-111-94-50-88(51-95(62-94)112-69-81-32-12-2-13-33-81)76-119-102-58-92(59-103(66-102)120-77-89-52-96(113-70-82-34-14-3-15-35-82)63-97(53-89)114-71-83-36-16-4-17-37-83)109-107-48-28-29-49-108(107)110(123(109)106-46-26-9-27-47-106)93-60-104(121-78-90-54-98(115-72-84-38-18-5-19-39-84)64-99(55-90)116-73-85-40-20-6-21-41-85)67-105(61-93)122-79-91-56-100(117-74-86-42-22-7-23-43-86)65-101(57-91)118-75-87-44-24-8-25-45-87/h1-27,30-47,50-67H,28-29,48-49,68-79H2.
What are the key properties of 1,3-bis[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]-2-phenyl-4,5,6,7-tetrahydroisophosphindole?
1,3-bis[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]-2-phenyl-4,5,6,7-tetrahydroisophosphindole has a molecular weight of 1639.93 g/mol, XLogP of 26.82, 39 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]-2-phenyl-4,5,6,7-tetrahydroisophosphindole is sourced from PubChem (CID 102084308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).