10-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide

C40H26NO2P — CID 153291842

IUPAC10-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide
SMILESO=P1(c2cccc3ccccc23)c2ccccc2Oc2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C40H26NO2P/c42-44(38-20-10-12-27-11-4-5-15-31(27)38)39-19-9-8-18-36(39)43-37-26-29(22-24-40(37)44)28-21-23-35-33(25-28)32-16-6-7-17-34(32)41(35)30-13-2-1-3-14-30/h1-26H
InChIKeyFVMRDYPFRAOAJY-UHFFFAOYSA-N
MW583.63 g/mol
LogP9.35
Rot. Bonds3

About 10-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide

10-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide (PubChem CID 153291842) has the molecular formula C40H26NO2P and a molecular weight of 583.63 g/mol. Its IUPAC name is 10-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide.

Molecular Properties

Compound Name10-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide
PubChem CID153291842
Molecular FormulaC40H26NO2P
Molecular Weight583.63 g/mol
Exact Mass583.17
IUPAC Name10-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide
SMILESO=P1(c2cccc3ccccc23)c2ccccc2Oc2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C40H26NO2P/c42-44(38-20-10-12-27-11-4-5-15-31(27)38)39-19-9-8-18-36(39)43-37-26-29(22-24-40(37)44)28-21-23-35-33(25-28)32-16-6-7-17-34(32)41(35)30-13-2-1-3-14-30/h1-26H
InChIKeyFVMRDYPFRAOAJY-UHFFFAOYSA-N
XLogP9.35
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.63
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11-(9-phenylcarbazol-3-yl)-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
CID 118220317
2-carbazol-9-yl-10-phenanthren-9-ylphenoxaphosphinine 10-oxide;10-naphthalen-2-yl-2-(10-naphthalen-1-ylanthracen-9-yl)phenoxaphosphinine 10-oxide;10-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide;10-phenyl-3-(3-triphenylen-2-ylphenyl)phenoxaphosphinine 10-oxide
CID 157173293
18-(4-carbazol-9-ylphenyl)-12-phenyl-15,21-dioxa-12-aza-1λ5-phosphaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16,18,20(28),22,24,26-dodecaene 1-oxide
CID 118219952
3-(4-phenanthren-3-ylphenyl)-9-phenylcarbazole
CID 88569888
11-carbazol-9-yl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
CID 118220322
3-(4-benzo[b]oxanthren-3-ylnaphthalen-1-yl)-9-phenylcarbazole
CID 126681371
21-naphthalen-1-yl-17-(9-phenylcarbazol-3-yl)-8-oxa-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15(20),16,18-undecaene
CID 167137798
18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diphenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 21-oxide;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene 21-oxide
CID 161382960
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide?
The IUPAC name of 10-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide (CID 153291842) is 10-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide.
What is the SMILES notation for 10-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide?
The canonical SMILES for 10-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide is O=P1(c2cccc3ccccc23)c2ccccc2Oc2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.
What is the InChIKey of 10-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide?
The InChIKey is FVMRDYPFRAOAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26NO2P/c42-44(38-20-10-12-27-11-4-5-15-31(27)38)39-19-9-8-18-36(39)43-37-26-29(22-24-40(37)44)28-21-23-35-33(25-28)32-16-6-7-17-34(32)41(35)30-13-2-1-3-14-30/h1-26H.
What are the key properties of 10-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide?
10-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide has a molecular weight of 583.63 g/mol, XLogP of 9.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide is sourced from PubChem (CID 153291842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).