5-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide

C46H30N5OP — CID 130260288

IUPAC5-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide
SMILESO=P1(c2ccccc2)c2ccccc2N(c2cc(-n3c4ccccc4c4cccnc43)cc(-n3c4ccccc4c4cccnc43)c2)c2ccccc21
InChIInChI=1S/C46H30N5OP/c52-53(34-14-2-1-3-15-34)43-24-10-8-22-41(43)49(42-23-9-11-25-44(42)53)31-28-32(50-39-20-6-4-16-35(39)37-18-12-26-47-45(37)50)30-33(29-31)51-40-21-7-5-17-36(40)38-19-13-27-48-46(38)51/h1-30H
InChIKeyUXQNBISAJXSBFL-UHFFFAOYSA-N
MW699.75 g/mol
LogP10.09
Rot. Bonds4

About 5-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide

5-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide (PubChem CID 130260288) has the molecular formula C46H30N5OP and a molecular weight of 699.75 g/mol. Its IUPAC name is 5-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide.

Molecular Properties

Compound Name5-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide
PubChem CID130260288
Molecular FormulaC46H30N5OP
Molecular Weight699.75 g/mol
Exact Mass699.22
IUPAC Name5-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide
SMILESO=P1(c2ccccc2)c2ccccc2N(c2cc(-n3c4ccccc4c4cccnc43)cc(-n3c4ccccc4c4cccnc43)c2)c2ccccc21
InChIInChI=1S/C46H30N5OP/c52-53(34-14-2-1-3-15-34)43-24-10-8-22-41(43)49(42-23-9-11-25-44(42)53)31-28-32(50-39-20-6-4-16-35(39)37-18-12-26-47-45(37)50)30-33(29-31)51-40-21-7-5-17-36(40)38-19-13-27-48-46(38)51/h1-30H
InChIKeyUXQNBISAJXSBFL-UHFFFAOYSA-N
XLogP10.09
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.75
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide;5-[3,5-di(carbazol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide;5-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide;10-phenyl-5-(3-pyrido[4,3-b]indol-5-ylphenyl)phenophosphazinine 10-oxide
CID 158918939
5-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide
CID 130260596
5-[3-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide
CID 130260300
5-[3-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide
CID 130260294
10-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)phenophosphazinine 10-oxide
CID 130260325
9-phenylpyrido[2,3-b]indole
CID 15939260
6-(2-carbazol-9-ylphenyl)-14-phenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide
CID 154599606
11-phenyl-5-quinolin-8-ylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310218
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
14-phenyl-3'-pyrido[2,3-b]indol-9-ylspiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-xanthene] 14-oxide
CID 164736527
14-phenyl-25-pyrido[2,3-b]indol-9-yl-14,21-diazaheptacyclo[19.10.1.02,7.08,13.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,10,12,15,17,19,22(27),23,25,28(32),29-pentadecaene
CID 177285265
9-(3-phenyl-5-pyridin-2-ylphenyl)pyrido[2,3-b]indole
CID 158284892

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide?
The IUPAC name of 5-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide (CID 130260288) is 5-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide.
What is the SMILES notation for 5-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide?
The canonical SMILES for 5-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide is O=P1(c2ccccc2)c2ccccc2N(c2cc(-n3c4ccccc4c4cccnc43)cc(-n3c4ccccc4c4cccnc43)c2)c2ccccc21.
What is the InChIKey of 5-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide?
The InChIKey is UXQNBISAJXSBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N5OP/c52-53(34-14-2-1-3-15-34)43-24-10-8-22-41(43)49(42-23-9-11-25-44(42)53)31-28-32(50-39-20-6-4-16-35(39)37-18-12-26-47-45(37)50)30-33(29-31)51-40-21-7-5-17-36(40)38-19-13-27-48-46(38)51/h1-30H.
What are the key properties of 5-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide?
5-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide has a molecular weight of 699.75 g/mol, XLogP of 10.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide is sourced from PubChem (CID 130260288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).