2,9-bis(diphenylphosphoryl)pentacene;2-dinaphthalen-1-ylphosphoryltetracene;14-diphenylphosphorylnaphtho[1,2-b]phenanthrene;2-diphenylphosphorylnaphtho[2,3-g]quinoline;2-diphenylphosphorylpentacene;6-diphenylphosphorylpentacene;2-[phenyl(pyren-1-yl)phosphoryl]-1,10-phenanthroline;2-[phenyl(pyren-1-yl)phosphoryl]tetracene;2-[phenyl(tetracen-2-yl)phosphoryl]tetracene

C331H219N3O10P10 — CID 158365460

IUPAC2,9-bis(diphenylphosphoryl)pentacene;2-dinaphthalen-1-ylphosphoryltetracene;14-diphenylphosphorylnaphtho[1,2-b]phenanthrene;2-diphenylphosphorylnaphtho[2,3-g]quinoline;2-diphenylphosphorylpentacene;6-diphenylphosphorylpentacene;2-[phenyl(pyren-1-yl)phosphoryl]-1,10-phenanthroline;2-[phenyl(pyren-1-yl)phosphoryl]tetracene;2-[phenyl(tetracen-2-yl)phosphoryl]tetracene
SMILESO=P(c1ccc2cc3cc4ccccc4cc3cc2c1)(c1cccc2ccccc12)c1cccc2ccccc12.O=P(c1ccccc1)(c1ccc2cc3cc4ccccc4cc3cc2c1)c1ccc2cc3cc4ccccc4cc3cc2c1.O=P(c1ccccc1)(c1ccc2cc3cc4ccccc4cc3cc2c1)c1ccc2ccc3cccc4ccc1c2c34.O=P(c1ccccc1)(c1ccc2ccc3cccnc3c2n1)c1ccc2ccc3cccc4ccc1c2c34.O=P(c1ccccc1)(c1ccccc1)c1c2cc3ccccc3cc2cc2cc3ccccc3cc12.O=P(c1ccccc1)(c1ccccc1)c1c2ccc3ccccc3c2cc2ccc3ccccc3c12.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc3cc4cc5cc(P(=O)(c6ccccc6)c6ccccc6)ccc5cc4cc3cc2c1.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc3cc4ccccc4cc3cc2n1
InChIInChI=1S/C46H32O2P2.C42H27OP.C40H25OP.C38H25OP.C34H21N2OP.3C34H23OP.C29H20NOP/c47-49(41-13-5-1-6-14-41,42-15-7-2-8-16-42)45-23-21-33-25-35-28-38-30-40-32-46(24-22-34(40)26-36(38)27-37(35)29-39(33)31-45)50(48,43-17-9-3-10-18-43)44-19-11-4-12-20-44;43-44(40-12-2-1-3-13-40,41-16-14-32-22-34-18-28-8-4-6-10-30(28)20-36(34)24-38(32)26-41)42-17-15-33-23-35-19-29-9-5-7-11-31(29)21-37(35)25-39(33)27-42;41-42(35-11-2-1-3-12-35,38-20-17-28-14-13-26-9-6-10-27-16-19-37(38)40(28)39(26)27)36-18-15-31-23-32-21-29-7-4-5-8-30(29)22-33(32)24-34(31)25-36;39-40(37-17-7-13-26-9-3-5-15-35(26)37,38-18-8-14-27-10-4-6-16-36(27)38)34-20-19-30-23-31-21-28-11-1-2-12-29(28)22-32(31)24-33(30)25-34;37-38(27-9-2-1-3-10-27,30-20-17-26-14-13-25-8-5-21-35-33(25)34(26)36-30)29-19-16-24-12-11-22-6-4-7-23-15-18-28(29)32(24)31(22)23;35-36(30-15-3-1-4-16-30,31-17-5-2-6-18-31)34-32-22-26-13-9-7-11-24(26)19-28(32)21-29-20-25-12-8-10-14-27(25)23-33(29)34;35-36(27-13-3-1-4-14-27,28-15-5-2-6-16-28)34-31-22-21-24-11-7-9-17-29(24)32(31)23-26-20-19-25-12-8-10-18-30(25)33(26)34;35-36(32-11-3-1-4-12-32,33-13-5-2-6-14-33)34-16-15-26-19-29-20-27-17-24-9-7-8-10-25(24)18-28(27)21-30(29)22-31(26)23-34;31-32(26-11-3-1-4-12-26,27-13-5-2-6-14-27)29-16-15-23-19-24-17-21-9-7-8-10-22(21)18-25(24)20-28(23)30-29/h1-32H;1-27H;1-25H;1-25H;1-21H;3*1-23H;1-20H
InChIKeyGTYZQTAEGACTKR-UHFFFAOYSA-N
MW4708.14 g/mol
LogP75.92
Rot. Bonds30

About 2,9-bis(diphenylphosphoryl)pentacene;2-dinaphthalen-1-ylphosphoryltetracene;14-diphenylphosphorylnaphtho[1,2-b]phenanthrene;2-diphenylphosphorylnaphtho[2,3-g]quinoline;2-diphenylphosphorylpentacene;6-diphenylphosphorylpentacene;2-[phenyl(pyren-1-yl)phosphoryl]-1,10-phenanthroline;2-[phenyl(pyren-1-yl)phosphoryl]tetracene;2-[phenyl(tetracen-2-yl)phosphoryl]tetracene

2,9-bis(diphenylphosphoryl)pentacene;2-dinaphthalen-1-ylphosphoryltetracene;14-diphenylphosphorylnaphtho[1,2-b]phenanthrene;2-diphenylphosphorylnaphtho[2,3-g]quinoline;2-diphenylphosphorylpentacene;6-diphenylphosphorylpentacene;2-[phenyl(pyren-1-yl)phosphoryl]-1,10-phenanthroline;2-[phenyl(pyren-1-yl)phosphoryl]tetracene;2-[phenyl(tetracen-2-yl)phosphoryl]tetracene (PubChem CID 158365460) has the molecular formula C331H219N3O10P10 and a molecular weight of 4708.14 g/mol. Its IUPAC name is 2,9-bis(diphenylphosphoryl)pentacene;2-dinaphthalen-1-ylphosphoryltetracene;14-diphenylphosphorylnaphtho[1,2-b]phenanthrene;2-diphenylphosphorylnaphtho[2,3-g]quinoline;2-diphenylphosphorylpentacene;6-diphenylphosphorylpentacene;2-[phenyl(pyren-1-yl)phosphoryl]-1,10-phenanthroline;2-[phenyl(pyren-1-yl)phosphoryl]tetracene;2-[phenyl(tetracen-2-yl)phosphoryl]tetracene.

Molecular Properties

Compound Name2,9-bis(diphenylphosphoryl)pentacene;2-dinaphthalen-1-ylphosphoryltetracene;14-diphenylphosphorylnaphtho[1,2-b]phenanthrene;2-diphenylphosphorylnaphtho[2,3-g]quinoline;2-diphenylphosphorylpentacene;6-diphenylphosphorylpentacene;2-[phenyl(pyren-1-yl)phosphoryl]-1,10-phenanthroline;2-[phenyl(pyren-1-yl)phosphoryl]tetracene;2-[phenyl(tetracen-2-yl)phosphoryl]tetracene
PubChem CID158365460
Molecular FormulaC331H219N3O10P10
Molecular Weight4708.14 g/mol
Exact Mass4704.41
IUPAC Name2,9-bis(diphenylphosphoryl)pentacene;2-dinaphthalen-1-ylphosphoryltetracene;14-diphenylphosphorylnaphtho[1,2-b]phenanthrene;2-diphenylphosphorylnaphtho[2,3-g]quinoline;2-diphenylphosphorylpentacene;6-diphenylphosphorylpentacene;2-[phenyl(pyren-1-yl)phosphoryl]-1,10-phenanthroline;2-[phenyl(pyren-1-yl)phosphoryl]tetracene;2-[phenyl(tetracen-2-yl)phosphoryl]tetracene
SMILESO=P(c1ccc2cc3cc4ccccc4cc3cc2c1)(c1cccc2ccccc12)c1cccc2ccccc12.O=P(c1ccccc1)(c1ccc2cc3cc4ccccc4cc3cc2c1)c1ccc2cc3cc4ccccc4cc3cc2c1.O=P(c1ccccc1)(c1ccc2cc3cc4ccccc4cc3cc2c1)c1ccc2ccc3cccc4ccc1c2c34.O=P(c1ccccc1)(c1ccc2ccc3cccnc3c2n1)c1ccc2ccc3cccc4ccc1c2c34.O=P(c1ccccc1)(c1ccccc1)c1c2cc3ccccc3cc2cc2cc3ccccc3cc12.O=P(c1ccccc1)(c1ccccc1)c1c2ccc3ccccc3c2cc2ccc3ccccc3c12.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc3cc4cc5cc(P(=O)(c6ccccc6)c6ccccc6)ccc5cc4cc3cc2c1.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc3cc4ccccc4cc3cc2n1
InChIInChI=1S/C46H32O2P2.C42H27OP.C40H25OP.C38H25OP.C34H21N2OP.3C34H23OP.C29H20NOP/c47-49(41-13-5-1-6-14-41,42-15-7-2-8-16-42)45-23-21-33-25-35-28-38-30-40-32-46(24-22-34(40)26-36(38)27-37(35)29-39(33)31-45)50(48,43-17-9-3-10-18-43)44-19-11-4-12-20-44;43-44(40-12-2-1-3-13-40,41-16-14-32-22-34-18-28-8-4-6-10-30(28)20-36(34)24-38(32)26-41)42-17-15-33-23-35-19-29-9-5-7-11-31(29)21-37(35)25-39(33)27-42;41-42(35-11-2-1-3-12-35,38-20-17-28-14-13-26-9-6-10-27-16-19-37(38)40(28)39(26)27)36-18-15-31-23-32-21-29-7-4-5-8-30(29)22-33(32)24-34(31)25-36;39-40(37-17-7-13-26-9-3-5-15-35(26)37,38-18-8-14-27-10-4-6-16-36(27)38)34-20-19-30-23-31-21-28-11-1-2-12-29(28)22-32(31)24-33(30)25-34;37-38(27-9-2-1-3-10-27,30-20-17-26-14-13-25-8-5-21-35-33(25)34(26)36-30)29-19-16-24-12-11-22-6-4-7-23-15-18-28(29)32(24)31(22)23;35-36(30-15-3-1-4-16-30,31-17-5-2-6-18-31)34-32-22-26-13-9-7-11-24(26)19-28(32)21-29-20-25-12-8-10-14-27(25)23-33(29)34;35-36(27-13-3-1-4-14-27,28-15-5-2-6-16-28)34-31-22-21-24-11-7-9-17-29(24)32(31)23-26-20-19-25-12-8-10-18-30(25)33(26)34;35-36(32-11-3-1-4-12-32,33-13-5-2-6-14-33)34-16-15-26-19-29-20-27-17-24-9-7-8-10-25(24)18-28(27)21-30(29)22-31(26)23-34;31-32(26-11-3-1-4-12-26,27-13-5-2-6-14-27)29-16-15-23-19-24-17-21-9-7-8-10-22(21)18-25(24)20-28(23)30-29/h1-32H;1-27H;1-25H;1-25H;1-21H;3*1-23H;1-20H
InChIKeyGTYZQTAEGACTKR-UHFFFAOYSA-N
XLogP75.92
TPSA209.37 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds30
Heavy Atoms354
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004708.14
LogP ≤ 575.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2,9-bis(diphenylphosphoryl)pentacene;2-dinaphthalen-1-ylphosphoryltetracene;14-diphenylphosphorylnaphtho[1,2-b]phenanthrene;2-diphenylphosphorylnaphtho[2,3-g]quinoline;2-diphenylphosphorylpentacene;6-diphenylphosphorylpentacene;2-[phenyl(pyren-1-yl)phosphoryl]-1,10-phenanthroline;2-[phenyl(pyren-1-yl)phosphoryl]tetracene;2-[phenyl(tetracen-2-yl)phosphoryl]tetracene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,9-bis(diphenylphosphoryl)pentacene;2-dinaphthalen-1-ylphosphoryltetracene;14-diphenylphosphorylnaphtho[1,2-b]phenanthrene;2-diphenylphosphorylnaphtho[2,3-g]quinoline;2-diphenylphosphorylpentacene;6-diphenylphosphorylpentacene;2-[phenyl(pyren-1-yl)phosphoryl]-1,10-phenanthroline;2-[phenyl(pyren-1-yl)phosphoryl]tetracene;2-[phenyl(tetracen-2-yl)phosphoryl]tetracene?
The IUPAC name of 2,9-bis(diphenylphosphoryl)pentacene;2-dinaphthalen-1-ylphosphoryltetracene;14-diphenylphosphorylnaphtho[1,2-b]phenanthrene;2-diphenylphosphorylnaphtho[2,3-g]quinoline;2-diphenylphosphorylpentacene;6-diphenylphosphorylpentacene;2-[phenyl(pyren-1-yl)phosphoryl]-1,10-phenanthroline;2-[phenyl(pyren-1-yl)phosphoryl]tetracene;2-[phenyl(tetracen-2-yl)phosphoryl]tetracene (CID 158365460) is 2,9-bis(diphenylphosphoryl)pentacene;2-dinaphthalen-1-ylphosphoryltetracene;14-diphenylphosphorylnaphtho[1,2-b]phenanthrene;2-diphenylphosphorylnaphtho[2,3-g]quinoline;2-diphenylphosphorylpentacene;6-diphenylphosphorylpentacene;2-[phenyl(pyren-1-yl)phosphoryl]-1,10-phenanthroline;2-[phenyl(pyren-1-yl)phosphoryl]tetracene;2-[phenyl(tetracen-2-yl)phosphoryl]tetracene.
What is the SMILES notation for 2,9-bis(diphenylphosphoryl)pentacene;2-dinaphthalen-1-ylphosphoryltetracene;14-diphenylphosphorylnaphtho[1,2-b]phenanthrene;2-diphenylphosphorylnaphtho[2,3-g]quinoline;2-diphenylphosphorylpentacene;6-diphenylphosphorylpentacene;2-[phenyl(pyren-1-yl)phosphoryl]-1,10-phenanthroline;2-[phenyl(pyren-1-yl)phosphoryl]tetracene;2-[phenyl(tetracen-2-yl)phosphoryl]tetracene?
The canonical SMILES for 2,9-bis(diphenylphosphoryl)pentacene;2-dinaphthalen-1-ylphosphoryltetracene;14-diphenylphosphorylnaphtho[1,2-b]phenanthrene;2-diphenylphosphorylnaphtho[2,3-g]quinoline;2-diphenylphosphorylpentacene;6-diphenylphosphorylpentacene;2-[phenyl(pyren-1-yl)phosphoryl]-1,10-phenanthroline;2-[phenyl(pyren-1-yl)phosphoryl]tetracene;2-[phenyl(tetracen-2-yl)phosphoryl]tetracene is O=P(c1ccc2cc3cc4ccccc4cc3cc2c1)(c1cccc2ccccc12)c1cccc2ccccc12.O=P(c1ccccc1)(c1ccc2cc3cc4ccccc4cc3cc2c1)c1ccc2cc3cc4ccccc4cc3cc2c1.O=P(c1ccccc1)(c1ccc2cc3cc4ccccc4cc3cc2c1)c1ccc2ccc3cccc4ccc1c2c34.O=P(c1ccccc1)(c1ccc2ccc3cccnc3c2n1)c1ccc2ccc3cccc4ccc1c2c34.O=P(c1ccccc1)(c1ccccc1)c1c2cc3ccccc3cc2cc2cc3ccccc3cc12.O=P(c1ccccc1)(c1ccccc1)c1c2ccc3ccccc3c2cc2ccc3ccccc3c12.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc3cc4cc5cc(P(=O)(c6ccccc6)c6ccccc6)ccc5cc4cc3cc2c1.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc3cc4ccccc4cc3cc2n1.
What is the InChIKey of 2,9-bis(diphenylphosphoryl)pentacene;2-dinaphthalen-1-ylphosphoryltetracene;14-diphenylphosphorylnaphtho[1,2-b]phenanthrene;2-diphenylphosphorylnaphtho[2,3-g]quinoline;2-diphenylphosphorylpentacene;6-diphenylphosphorylpentacene;2-[phenyl(pyren-1-yl)phosphoryl]-1,10-phenanthroline;2-[phenyl(pyren-1-yl)phosphoryl]tetracene;2-[phenyl(tetracen-2-yl)phosphoryl]tetracene?
The InChIKey is GTYZQTAEGACTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32O2P2.C42H27OP.C40H25OP.C38H25OP.C34H21N2OP.3C34H23OP.C29H20NOP/c47-49(41-13-5-1-6-14-41,42-15-7-2-8-16-42)45-23-21-33-25-35-28-38-30-40-32-46(24-22-34(40)26-36(38)27-37(35)29-39(33)31-45)50(48,43-17-9-3-10-18-43)44-19-11-4-12-20-44;43-44(40-12-2-1-3-13-40,41-16-14-32-22-34-18-28-8-4-6-10-30(28)20-36(34)24-38(32)26-41)42-17-15-33-23-35-19-29-9-5-7-11-31(29)21-37(35)25-39(33)27-42;41-42(35-11-2-1-3-12-35,38-20-17-28-14-13-26-9-6-10-27-16-19-37(38)40(28)39(26)27)36-18-15-31-23-32-21-29-7-4-5-8-30(29)22-33(32)24-34(31)25-36;39-40(37-17-7-13-26-9-3-5-15-35(26)37,38-18-8-14-27-10-4-6-16-36(27)38)34-20-19-30-23-31-21-28-11-1-2-12-29(28)22-32(31)24-33(30)25-34;37-38(27-9-2-1-3-10-27,30-20-17-26-14-13-25-8-5-21-35-33(25)34(26)36-30)29-19-16-24-12-11-22-6-4-7-23-15-18-28(29)32(24)31(22)23;35-36(30-15-3-1-4-16-30,31-17-5-2-6-18-31)34-32-22-26-13-9-7-11-24(26)19-28(32)21-29-20-25-12-8-10-14-27(25)23-33(29)34;35-36(27-13-3-1-4-14-27,28-15-5-2-6-16-28)34-31-22-21-24-11-7-9-17-29(24)32(31)23-26-20-19-25-12-8-10-18-30(25)33(26)34;35-36(32-11-3-1-4-12-32,33-13-5-2-6-14-33)34-16-15-26-19-29-20-27-17-24-9-7-8-10-25(24)18-28(27)21-30(29)22-31(26)23-34;31-32(26-11-3-1-4-12-26,27-13-5-2-6-14-27)29-16-15-23-19-24-17-21-9-7-8-10-22(21)18-25(24)20-28(23)30-29/h1-32H;1-27H;1-25H;1-25H;1-21H;3*1-23H;1-20H.
What are the key properties of 2,9-bis(diphenylphosphoryl)pentacene;2-dinaphthalen-1-ylphosphoryltetracene;14-diphenylphosphorylnaphtho[1,2-b]phenanthrene;2-diphenylphosphorylnaphtho[2,3-g]quinoline;2-diphenylphosphorylpentacene;6-diphenylphosphorylpentacene;2-[phenyl(pyren-1-yl)phosphoryl]-1,10-phenanthroline;2-[phenyl(pyren-1-yl)phosphoryl]tetracene;2-[phenyl(tetracen-2-yl)phosphoryl]tetracene?
2,9-bis(diphenylphosphoryl)pentacene;2-dinaphthalen-1-ylphosphoryltetracene;14-diphenylphosphorylnaphtho[1,2-b]phenanthrene;2-diphenylphosphorylnaphtho[2,3-g]quinoline;2-diphenylphosphorylpentacene;6-diphenylphosphorylpentacene;2-[phenyl(pyren-1-yl)phosphoryl]-1,10-phenanthroline;2-[phenyl(pyren-1-yl)phosphoryl]tetracene;2-[phenyl(tetracen-2-yl)phosphoryl]tetracene has a molecular weight of 4708.14 g/mol, XLogP of 75.92, 30 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(diphenylphosphoryl)pentacene;2-dinaphthalen-1-ylphosphoryltetracene;14-diphenylphosphorylnaphtho[1,2-b]phenanthrene;2-diphenylphosphorylnaphtho[2,3-g]quinoline;2-diphenylphosphorylpentacene;6-diphenylphosphorylpentacene;2-[phenyl(pyren-1-yl)phosphoryl]-1,10-phenanthroline;2-[phenyl(pyren-1-yl)phosphoryl]tetracene;2-[phenyl(tetracen-2-yl)phosphoryl]tetracene is sourced from PubChem (CID 158365460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).