2,7-bis(3,7-ditert-butylnaphthalen-1-yl)xanthen-9-one;2,7-bis(2,6-diphenylphenyl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;2,7-dinaphthalen-1-ylxanthen-9-one;2,7-dinaphthalen-2-ylxanthen-9-one;2,7-di(phenanthren-2-yl)xanthen-9-one;2,7-di(phenanthren-3-yl)xanthen-9-one;2,7-di(phenanthren-9-yl)xanthen-9-one

C336H228O16 — CID 157182010

IUPAC2,7-bis(3,7-ditert-butylnaphthalen-1-yl)xanthen-9-one;2,7-bis(2,6-diphenylphenyl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;2,7-dinaphthalen-1-ylxanthen-9-one;2,7-dinaphthalen-2-ylxanthen-9-one;2,7-di(phenanthren-2-yl)xanthen-9-one;2,7-di(phenanthren-3-yl)xanthen-9-one;2,7-di(phenanthren-9-yl)xanthen-9-one
SMILESCC(C)(C)c1cc(-c2ccc3oc4ccc(-c5cc(C(C)(C)C)cc6ccc(C(C)(C)C)cc56)cc4c(=O)c3c2)c2cc(C(C)(C)C)ccc2c1.O=c1c2cc(-c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2oc2ccc(-c3c(-c4ccccc4)cccc3-c3ccccc3)cc12.O=c1c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc2oc2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc12.O=c1c2cc(-c3cc4ccccc4c4ccccc34)ccc2oc2ccc(-c3cc4ccccc4c4ccccc34)cc12.O=c1c2cc(-c3ccc4c(ccc5ccccc54)c3)ccc2oc2ccc(-c3ccc4c(ccc5ccccc54)c3)cc12.O=c1c2cc(-c3ccc4ccc5ccccc5c4c3)ccc2oc2ccc(-c3ccc4ccc5ccccc5c4c3)cc12.O=c1c2cc(-c3ccc4ccccc4c3)ccc2oc2ccc(-c3ccc4ccccc4c3)cc12.O=c1c2cc(-c3cccc4ccccc34)ccc2oc2ccc(-c3cccc4ccccc34)cc12
InChIInChI=1S/2C49H32O2.C49H52O2.3C41H24O2.2C33H20O2/c50-49-43-31-37(47-39(33-15-5-1-6-16-33)23-13-24-40(47)34-17-7-2-8-18-34)27-29-45(43)51-46-30-28-38(32-44(46)49)48-41(35-19-9-3-10-20-35)25-14-26-42(48)36-21-11-4-12-22-36;50-49-45-31-37(43-27-39(33-13-5-1-6-14-33)25-40(28-43)34-15-7-2-8-16-34)21-23-47(45)51-48-24-22-38(32-46(48)49)44-29-41(35-17-9-3-10-18-35)26-42(30-44)36-19-11-4-12-20-36;1-46(2,3)33-17-13-29-21-35(48(7,8)9)27-39(37(29)25-33)31-15-19-43-41(23-31)45(50)42-24-32(16-20-44(42)51-43)40-28-36(49(10,11)12)22-30-14-18-34(26-38(30)40)47(4,5)6;42-41-37-23-27(35-21-25-9-1-3-11-29(25)31-13-5-7-15-33(31)35)17-19-39(37)43-40-20-18-28(24-38(40)41)36-22-26-10-2-4-12-30(26)32-14-6-8-16-34(32)36;42-41-37-23-29(27-13-17-35-31(21-27)11-9-25-5-1-3-7-33(25)35)15-19-39(37)43-40-20-16-30(24-38(40)41)28-14-18-36-32(22-28)12-10-26-6-2-4-8-34(26)36;42-41-37-23-31(29-15-13-27-11-9-25-5-1-3-7-33(25)35(27)21-29)17-19-39(37)43-40-20-18-32(24-38(40)41)30-16-14-28-12-10-26-6-2-4-8-34(26)36(28)22-30;34-33-29-19-23(27-13-5-9-21-7-1-3-11-25(21)27)15-17-31(29)35-32-18-16-24(20-30(32)33)28-14-6-10-22-8-2-4-12-26(22)28;34-33-29-19-27(25-11-9-21-5-1-3-7-23(21)17-25)13-15-31(29)35-32-16-14-28(20-30(32)33)26-12-10-22-6-2-4-8-24(22)18-26/h2*1-32H;13-28H,1-12H3;3*1-24H;2*1-20H
InChIKeyAORGBGDHZZCHGV-UHFFFAOYSA-N
MW4521.50 g/mol
LogP89.53
Rot. Bonds24

About 2,7-bis(3,7-ditert-butylnaphthalen-1-yl)xanthen-9-one;2,7-bis(2,6-diphenylphenyl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;2,7-dinaphthalen-1-ylxanthen-9-one;2,7-dinaphthalen-2-ylxanthen-9-one;2,7-di(phenanthren-2-yl)xanthen-9-one;2,7-di(phenanthren-3-yl)xanthen-9-one;2,7-di(phenanthren-9-yl)xanthen-9-one

2,7-bis(3,7-ditert-butylnaphthalen-1-yl)xanthen-9-one;2,7-bis(2,6-diphenylphenyl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;2,7-dinaphthalen-1-ylxanthen-9-one;2,7-dinaphthalen-2-ylxanthen-9-one;2,7-di(phenanthren-2-yl)xanthen-9-one;2,7-di(phenanthren-3-yl)xanthen-9-one;2,7-di(phenanthren-9-yl)xanthen-9-one (PubChem CID 157182010) has the molecular formula C336H228O16 and a molecular weight of 4521.50 g/mol. Its IUPAC name is 2,7-bis(3,7-ditert-butylnaphthalen-1-yl)xanthen-9-one;2,7-bis(2,6-diphenylphenyl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;2,7-dinaphthalen-1-ylxanthen-9-one;2,7-dinaphthalen-2-ylxanthen-9-one;2,7-di(phenanthren-2-yl)xanthen-9-one;2,7-di(phenanthren-3-yl)xanthen-9-one;2,7-di(phenanthren-9-yl)xanthen-9-one.

Molecular Properties

Compound Name2,7-bis(3,7-ditert-butylnaphthalen-1-yl)xanthen-9-one;2,7-bis(2,6-diphenylphenyl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;2,7-dinaphthalen-1-ylxanthen-9-one;2,7-dinaphthalen-2-ylxanthen-9-one;2,7-di(phenanthren-2-yl)xanthen-9-one;2,7-di(phenanthren-3-yl)xanthen-9-one;2,7-di(phenanthren-9-yl)xanthen-9-one
PubChem CID157182010
Molecular FormulaC336H228O16
Molecular Weight4521.50 g/mol
Exact Mass4517.70
IUPAC Name2,7-bis(3,7-ditert-butylnaphthalen-1-yl)xanthen-9-one;2,7-bis(2,6-diphenylphenyl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;2,7-dinaphthalen-1-ylxanthen-9-one;2,7-dinaphthalen-2-ylxanthen-9-one;2,7-di(phenanthren-2-yl)xanthen-9-one;2,7-di(phenanthren-3-yl)xanthen-9-one;2,7-di(phenanthren-9-yl)xanthen-9-one
SMILESCC(C)(C)c1cc(-c2ccc3oc4ccc(-c5cc(C(C)(C)C)cc6ccc(C(C)(C)C)cc56)cc4c(=O)c3c2)c2cc(C(C)(C)C)ccc2c1.O=c1c2cc(-c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2oc2ccc(-c3c(-c4ccccc4)cccc3-c3ccccc3)cc12.O=c1c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc2oc2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc12.O=c1c2cc(-c3cc4ccccc4c4ccccc34)ccc2oc2ccc(-c3cc4ccccc4c4ccccc34)cc12.O=c1c2cc(-c3ccc4c(ccc5ccccc54)c3)ccc2oc2ccc(-c3ccc4c(ccc5ccccc54)c3)cc12.O=c1c2cc(-c3ccc4ccc5ccccc5c4c3)ccc2oc2ccc(-c3ccc4ccc5ccccc5c4c3)cc12.O=c1c2cc(-c3ccc4ccccc4c3)ccc2oc2ccc(-c3ccc4ccccc4c3)cc12.O=c1c2cc(-c3cccc4ccccc34)ccc2oc2ccc(-c3cccc4ccccc34)cc12
InChIInChI=1S/2C49H32O2.C49H52O2.3C41H24O2.2C33H20O2/c50-49-43-31-37(47-39(33-15-5-1-6-16-33)23-13-24-40(47)34-17-7-2-8-18-34)27-29-45(43)51-46-30-28-38(32-44(46)49)48-41(35-19-9-3-10-20-35)25-14-26-42(48)36-21-11-4-12-22-36;50-49-45-31-37(43-27-39(33-13-5-1-6-14-33)25-40(28-43)34-15-7-2-8-16-34)21-23-47(45)51-48-24-22-38(32-46(48)49)44-29-41(35-17-9-3-10-18-35)26-42(30-44)36-19-11-4-12-20-36;1-46(2,3)33-17-13-29-21-35(48(7,8)9)27-39(37(29)25-33)31-15-19-43-41(23-31)45(50)42-24-32(16-20-44(42)51-43)40-28-36(49(10,11)12)22-30-14-18-34(26-38(30)40)47(4,5)6;42-41-37-23-27(35-21-25-9-1-3-11-29(25)31-13-5-7-15-33(31)35)17-19-39(37)43-40-20-18-28(24-38(40)41)36-22-26-10-2-4-12-30(26)32-14-6-8-16-34(32)36;42-41-37-23-29(27-13-17-35-31(21-27)11-9-25-5-1-3-7-33(25)35)15-19-39(37)43-40-20-16-30(24-38(40)41)28-14-18-36-32(22-28)12-10-26-6-2-4-8-34(26)36;42-41-37-23-31(29-15-13-27-11-9-25-5-1-3-7-33(25)35(27)21-29)17-19-39(37)43-40-20-18-32(24-38(40)41)30-16-14-28-12-10-26-6-2-4-8-34(26)36(28)22-30;34-33-29-19-23(27-13-5-9-21-7-1-3-11-25(21)27)15-17-31(29)35-32-18-16-24(20-30(32)33)28-14-6-10-22-8-2-4-12-26(22)28;34-33-29-19-27(25-11-9-21-5-1-3-7-23(21)17-25)13-15-31(29)35-32-16-14-28(20-30(32)33)26-12-10-22-6-2-4-8-24(22)18-26/h2*1-32H;13-28H,1-12H3;3*1-24H;2*1-20H
InChIKeyAORGBGDHZZCHGV-UHFFFAOYSA-N
XLogP89.53
TPSA241.68 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms352
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004521.50
LogP ≤ 589.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2,7-bis(3,7-ditert-butylnaphthalen-1-yl)xanthen-9-one;2,7-bis(2,6-diphenylphenyl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;2,7-dinaphthalen-1-ylxanthen-9-one;2,7-dinaphthalen-2-ylxanthen-9-one;2,7-di(phenanthren-2-yl)xanthen-9-one;2,7-di(phenanthren-3-yl)xanthen-9-one;2,7-di(phenanthren-9-yl)xanthen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis(3,7-ditert-butylnaphthalen-1-yl)xanthen-9-one;2,7-bis(2,6-diphenylphenyl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;2,7-dinaphthalen-1-ylxanthen-9-one;2,7-dinaphthalen-2-ylxanthen-9-one;2,7-di(phenanthren-2-yl)xanthen-9-one;2,7-di(phenanthren-3-yl)xanthen-9-one;2,7-di(phenanthren-9-yl)xanthen-9-one?
The IUPAC name of 2,7-bis(3,7-ditert-butylnaphthalen-1-yl)xanthen-9-one;2,7-bis(2,6-diphenylphenyl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;2,7-dinaphthalen-1-ylxanthen-9-one;2,7-dinaphthalen-2-ylxanthen-9-one;2,7-di(phenanthren-2-yl)xanthen-9-one;2,7-di(phenanthren-3-yl)xanthen-9-one;2,7-di(phenanthren-9-yl)xanthen-9-one (CID 157182010) is 2,7-bis(3,7-ditert-butylnaphthalen-1-yl)xanthen-9-one;2,7-bis(2,6-diphenylphenyl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;2,7-dinaphthalen-1-ylxanthen-9-one;2,7-dinaphthalen-2-ylxanthen-9-one;2,7-di(phenanthren-2-yl)xanthen-9-one;2,7-di(phenanthren-3-yl)xanthen-9-one;2,7-di(phenanthren-9-yl)xanthen-9-one.
What is the SMILES notation for 2,7-bis(3,7-ditert-butylnaphthalen-1-yl)xanthen-9-one;2,7-bis(2,6-diphenylphenyl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;2,7-dinaphthalen-1-ylxanthen-9-one;2,7-dinaphthalen-2-ylxanthen-9-one;2,7-di(phenanthren-2-yl)xanthen-9-one;2,7-di(phenanthren-3-yl)xanthen-9-one;2,7-di(phenanthren-9-yl)xanthen-9-one?
The canonical SMILES for 2,7-bis(3,7-ditert-butylnaphthalen-1-yl)xanthen-9-one;2,7-bis(2,6-diphenylphenyl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;2,7-dinaphthalen-1-ylxanthen-9-one;2,7-dinaphthalen-2-ylxanthen-9-one;2,7-di(phenanthren-2-yl)xanthen-9-one;2,7-di(phenanthren-3-yl)xanthen-9-one;2,7-di(phenanthren-9-yl)xanthen-9-one is CC(C)(C)c1cc(-c2ccc3oc4ccc(-c5cc(C(C)(C)C)cc6ccc(C(C)(C)C)cc56)cc4c(=O)c3c2)c2cc(C(C)(C)C)ccc2c1.O=c1c2cc(-c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2oc2ccc(-c3c(-c4ccccc4)cccc3-c3ccccc3)cc12.O=c1c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc2oc2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc12.O=c1c2cc(-c3cc4ccccc4c4ccccc34)ccc2oc2ccc(-c3cc4ccccc4c4ccccc34)cc12.O=c1c2cc(-c3ccc4c(ccc5ccccc54)c3)ccc2oc2ccc(-c3ccc4c(ccc5ccccc54)c3)cc12.O=c1c2cc(-c3ccc4ccc5ccccc5c4c3)ccc2oc2ccc(-c3ccc4ccc5ccccc5c4c3)cc12.O=c1c2cc(-c3ccc4ccccc4c3)ccc2oc2ccc(-c3ccc4ccccc4c3)cc12.O=c1c2cc(-c3cccc4ccccc34)ccc2oc2ccc(-c3cccc4ccccc34)cc12.
What is the InChIKey of 2,7-bis(3,7-ditert-butylnaphthalen-1-yl)xanthen-9-one;2,7-bis(2,6-diphenylphenyl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;2,7-dinaphthalen-1-ylxanthen-9-one;2,7-dinaphthalen-2-ylxanthen-9-one;2,7-di(phenanthren-2-yl)xanthen-9-one;2,7-di(phenanthren-3-yl)xanthen-9-one;2,7-di(phenanthren-9-yl)xanthen-9-one?
The InChIKey is AORGBGDHZZCHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H32O2.C49H52O2.3C41H24O2.2C33H20O2/c50-49-43-31-37(47-39(33-15-5-1-6-16-33)23-13-24-40(47)34-17-7-2-8-18-34)27-29-45(43)51-46-30-28-38(32-44(46)49)48-41(35-19-9-3-10-20-35)25-14-26-42(48)36-21-11-4-12-22-36;50-49-45-31-37(43-27-39(33-13-5-1-6-14-33)25-40(28-43)34-15-7-2-8-16-34)21-23-47(45)51-48-24-22-38(32-46(48)49)44-29-41(35-17-9-3-10-18-35)26-42(30-44)36-19-11-4-12-20-36;1-46(2,3)33-17-13-29-21-35(48(7,8)9)27-39(37(29)25-33)31-15-19-43-41(23-31)45(50)42-24-32(16-20-44(42)51-43)40-28-36(49(10,11)12)22-30-14-18-34(26-38(30)40)47(4,5)6;42-41-37-23-27(35-21-25-9-1-3-11-29(25)31-13-5-7-15-33(31)35)17-19-39(37)43-40-20-18-28(24-38(40)41)36-22-26-10-2-4-12-30(26)32-14-6-8-16-34(32)36;42-41-37-23-29(27-13-17-35-31(21-27)11-9-25-5-1-3-7-33(25)35)15-19-39(37)43-40-20-16-30(24-38(40)41)28-14-18-36-32(22-28)12-10-26-6-2-4-8-34(26)36;42-41-37-23-31(29-15-13-27-11-9-25-5-1-3-7-33(25)35(27)21-29)17-19-39(37)43-40-20-18-32(24-38(40)41)30-16-14-28-12-10-26-6-2-4-8-34(26)36(28)22-30;34-33-29-19-23(27-13-5-9-21-7-1-3-11-25(21)27)15-17-31(29)35-32-18-16-24(20-30(32)33)28-14-6-10-22-8-2-4-12-26(22)28;34-33-29-19-27(25-11-9-21-5-1-3-7-23(21)17-25)13-15-31(29)35-32-16-14-28(20-30(32)33)26-12-10-22-6-2-4-8-24(22)18-26/h2*1-32H;13-28H,1-12H3;3*1-24H;2*1-20H.
What are the key properties of 2,7-bis(3,7-ditert-butylnaphthalen-1-yl)xanthen-9-one;2,7-bis(2,6-diphenylphenyl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;2,7-dinaphthalen-1-ylxanthen-9-one;2,7-dinaphthalen-2-ylxanthen-9-one;2,7-di(phenanthren-2-yl)xanthen-9-one;2,7-di(phenanthren-3-yl)xanthen-9-one;2,7-di(phenanthren-9-yl)xanthen-9-one?
2,7-bis(3,7-ditert-butylnaphthalen-1-yl)xanthen-9-one;2,7-bis(2,6-diphenylphenyl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;2,7-dinaphthalen-1-ylxanthen-9-one;2,7-dinaphthalen-2-ylxanthen-9-one;2,7-di(phenanthren-2-yl)xanthen-9-one;2,7-di(phenanthren-3-yl)xanthen-9-one;2,7-di(phenanthren-9-yl)xanthen-9-one has a molecular weight of 4521.50 g/mol, XLogP of 89.53, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(3,7-ditert-butylnaphthalen-1-yl)xanthen-9-one;2,7-bis(2,6-diphenylphenyl)xanthen-9-one;2,7-bis(3,5-diphenylphenyl)xanthen-9-one;2,7-dinaphthalen-1-ylxanthen-9-one;2,7-dinaphthalen-2-ylxanthen-9-one;2,7-di(phenanthren-2-yl)xanthen-9-one;2,7-di(phenanthren-3-yl)xanthen-9-one;2,7-di(phenanthren-9-yl)xanthen-9-one is sourced from PubChem (CID 157182010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).