10-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)phenophosphazinine 10-oxide

C35H24N3OP — CID 130260325

IUPAC10-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)phenophosphazinine 10-oxide
SMILESO=P1(c2ccccc2)c2ccccc2N(c2ccc(-n3c4ccccc4c4ccncc43)cc2)c2ccccc21
InChIInChI=1S/C35H24N3OP/c39-40(27-10-2-1-3-11-27)34-16-8-6-14-31(34)38(32-15-7-9-17-35(32)40)26-20-18-25(19-21-26)37-30-13-5-4-12-28(30)29-22-23-36-24-33(29)37/h1-24H
InChIKeyYDUOWUBYQNMQGF-UHFFFAOYSA-N
MW533.57 g/mol
LogP7.60
Rot. Bonds3

About 10-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)phenophosphazinine 10-oxide

10-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)phenophosphazinine 10-oxide (PubChem CID 130260325) has the molecular formula C35H24N3OP and a molecular weight of 533.57 g/mol. Its IUPAC name is 10-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)phenophosphazinine 10-oxide.

Molecular Properties

Compound Name10-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)phenophosphazinine 10-oxide
PubChem CID130260325
Molecular FormulaC35H24N3OP
Molecular Weight533.57 g/mol
Exact Mass533.17
IUPAC Name10-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)phenophosphazinine 10-oxide
SMILESO=P1(c2ccccc2)c2ccccc2N(c2ccc(-n3c4ccccc4c4ccncc43)cc2)c2ccccc21
InChIInChI=1S/C35H24N3OP/c39-40(27-10-2-1-3-11-27)34-16-8-6-14-31(34)38(32-15-7-9-17-35(32)40)26-20-18-25(19-21-26)37-30-13-5-4-12-28(30)29-22-23-36-24-33(29)37/h1-24H
InChIKeyYDUOWUBYQNMQGF-UHFFFAOYSA-N
XLogP7.60
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.57
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide
CID 130260596
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
10-phenyl-5-(4-pyridin-3-ylphenyl)phenophosphazinine 10-oxide
CID 140898941
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
9-(4-nitrophenyl)pyrido[3,4-b]indole
CID 5239144
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
6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700
17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14,21-triphenyl-10,21-diaza-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide
CID 153292035
9-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole
CID 129221348
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

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)phenophosphazinine 10-oxide?
The IUPAC name of 10-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)phenophosphazinine 10-oxide (CID 130260325) is 10-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)phenophosphazinine 10-oxide.
What is the SMILES notation for 10-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)phenophosphazinine 10-oxide?
The canonical SMILES for 10-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)phenophosphazinine 10-oxide is O=P1(c2ccccc2)c2ccccc2N(c2ccc(-n3c4ccccc4c4ccncc43)cc2)c2ccccc21.
What is the InChIKey of 10-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)phenophosphazinine 10-oxide?
The InChIKey is YDUOWUBYQNMQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N3OP/c39-40(27-10-2-1-3-11-27)34-16-8-6-14-31(34)38(32-15-7-9-17-35(32)40)26-20-18-25(19-21-26)37-30-13-5-4-12-28(30)29-22-23-36-24-33(29)37/h1-24H.
What are the key properties of 10-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)phenophosphazinine 10-oxide?
10-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)phenophosphazinine 10-oxide has a molecular weight of 533.57 g/mol, XLogP of 7.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)phenophosphazinine 10-oxide is sourced from PubChem (CID 130260325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).