5-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide

C46H30N5OP — CID 130260596

IUPAC5-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide
SMILESO=P1(c2ccccc2)c2ccccc2N(c2cc(-n3c4ccccc4c4ccncc43)cc(-n3c4ccccc4c4ccncc43)c2)c2ccccc21
InChIInChI=1S/C46H30N5OP/c52-53(34-12-2-1-3-13-34)45-20-10-8-18-41(45)51(42-19-9-11-21-46(42)53)33-27-31(49-39-16-6-4-14-35(39)37-22-24-47-29-43(37)49)26-32(28-33)50-40-17-7-5-15-36(40)38-23-25-48-30-44(38)50/h1-30H
InChIKeyDUIRCVDJVFVTCF-UHFFFAOYSA-N
MW699.75 g/mol
LogP10.09
Rot. Bonds4

About 5-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide

5-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide (PubChem CID 130260596) has the molecular formula C46H30N5OP and a molecular weight of 699.75 g/mol. Its IUPAC name is 5-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide.

Molecular Properties

Compound Name5-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide
PubChem CID130260596
Molecular FormulaC46H30N5OP
Molecular Weight699.75 g/mol
Exact Mass699.22
IUPAC Name5-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide
SMILESO=P1(c2ccccc2)c2ccccc2N(c2cc(-n3c4ccccc4c4ccncc43)cc(-n3c4ccccc4c4ccncc43)c2)c2ccccc21
InChIInChI=1S/C46H30N5OP/c52-53(34-12-2-1-3-13-34)45-20-10-8-18-41(45)51(42-19-9-11-21-46(42)53)33-27-31(49-39-16-6-4-14-35(39)37-22-24-47-29-43(37)49)26-32(28-33)50-40-17-7-5-15-36(40)38-23-25-48-30-44(38)50/h1-30H
InChIKeyDUIRCVDJVFVTCF-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

10-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)phenophosphazinine 10-oxide
CID 130260325
5-[3-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide
CID 130260294
5-[3-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide
CID 130260300
5-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide
CID 130260288
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
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
10-phenyl-5-(4-pyridin-3-ylphenyl)phenophosphazinine 10-oxide
CID 140898941
10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 123184243
9-(4-nitrophenyl)pyrido[3,4-b]indole
CID 5239144
5-[6-(10-oxo-10-phenylphenophosphazinin-5-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-10-phenylphenophosphazinine 10-oxide
CID 129089140
9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole
CID 163771254
6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide?
The IUPAC name of 5-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide (CID 130260596) is 5-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide.
What is the SMILES notation for 5-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide?
The canonical SMILES for 5-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide is O=P1(c2ccccc2)c2ccccc2N(c2cc(-n3c4ccccc4c4ccncc43)cc(-n3c4ccccc4c4ccncc43)c2)c2ccccc21.
What is the InChIKey of 5-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide?
The InChIKey is DUIRCVDJVFVTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N5OP/c52-53(34-12-2-1-3-13-34)45-20-10-8-18-41(45)51(42-19-9-11-21-46(42)53)33-27-31(49-39-16-6-4-14-35(39)37-22-24-47-29-43(37)49)26-32(28-33)50-40-17-7-5-15-36(40)38-23-25-48-30-44(38)50/h1-30H.
What are the key properties of 5-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide?
5-[3,5-bis(pyrido[3,4-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[3,4-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide is sourced from PubChem (CID 130260596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).