3-[phenanthren-9-yl(phenyl)phosphoryl]-9-phenylcarbazole

C38H26NOP — CID 87159646

IUPAC3-[phenanthren-9-yl(phenyl)phosphoryl]-9-phenylcarbazole
SMILESO=P(c1ccccc1)(c1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C38H26NOP/c40-41(29-16-5-2-6-17-29,38-25-27-13-7-8-18-31(27)32-19-9-10-21-34(32)38)30-23-24-37-35(26-30)33-20-11-12-22-36(33)39(37)28-14-3-1-4-15-28/h1-26H
InChIKeyWYEVIUJUSNDNJQ-UHFFFAOYSA-N
MW543.61 g/mol
LogP8.73
Rot. Bonds4

About 3-[phenanthren-9-yl(phenyl)phosphoryl]-9-phenylcarbazole

3-[phenanthren-9-yl(phenyl)phosphoryl]-9-phenylcarbazole (PubChem CID 87159646) has the molecular formula C38H26NOP and a molecular weight of 543.61 g/mol. Its IUPAC name is 3-[phenanthren-9-yl(phenyl)phosphoryl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[phenanthren-9-yl(phenyl)phosphoryl]-9-phenylcarbazole
PubChem CID87159646
Molecular FormulaC38H26NOP
Molecular Weight543.61 g/mol
Exact Mass543.18
IUPAC Name3-[phenanthren-9-yl(phenyl)phosphoryl]-9-phenylcarbazole
SMILESO=P(c1ccccc1)(c1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C38H26NOP/c40-41(29-16-5-2-6-17-29,38-25-27-13-7-8-18-31(27)32-19-9-10-21-34(32)38)30-23-24-37-35(26-30)33-20-11-12-22-36(33)39(37)28-14-3-1-4-15-28/h1-26H
InChIKeyWYEVIUJUSNDNJQ-UHFFFAOYSA-N
XLogP8.73
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.61
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-9-phenylcarbazole
CID 87159769
5-bis(4-phenylphenyl)phosphoryl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 138742058
9-[4-[(4-carbazol-9-ylphenyl)-phenylphosphoryl]phenyl]carbazole;9-(8-diphenylphosphoryldibenzofuran-2-yl)carbazole;3-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole
CID 159051293
2,7-bis(diphenylphosphoryl)-9-phenylcarbazole;3,6-bis(diphenylphosphoryl)-9-phenylcarbazole;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;9-(3-carbazol-9-ylphenyl)-3-diphenylphosphorylcarbazole
CID 164994259
3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole
CID 87159603
26-(3-diphenylphosphorylphenyl)-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene
CID 90432148
9-phenyl-3-[(9-phenylcarbazol-3-yl)-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)phosphoryl]carbazole
CID 139538399
3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole
CID 157211543
6-[(7-cyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile
CID 134602601
3-[3,5-di(phenanthren-9-yl)phenyl]-9-phenylcarbazole
CID 87167202
3-(2-phenanthren-9-ylphenyl)-9-phenylcarbazole
CID 87171359
12-(4-diphenylphosphorylphenyl)-5-phenylindolo[3,2-c]carbazole
CID 58175572

Frequently Asked Questions

What is the IUPAC name of 3-[phenanthren-9-yl(phenyl)phosphoryl]-9-phenylcarbazole?
The IUPAC name of 3-[phenanthren-9-yl(phenyl)phosphoryl]-9-phenylcarbazole (CID 87159646) is 3-[phenanthren-9-yl(phenyl)phosphoryl]-9-phenylcarbazole.
What is the SMILES notation for 3-[phenanthren-9-yl(phenyl)phosphoryl]-9-phenylcarbazole?
The canonical SMILES for 3-[phenanthren-9-yl(phenyl)phosphoryl]-9-phenylcarbazole is O=P(c1ccccc1)(c1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1cc2ccccc2c2ccccc12.
What is the InChIKey of 3-[phenanthren-9-yl(phenyl)phosphoryl]-9-phenylcarbazole?
The InChIKey is WYEVIUJUSNDNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26NOP/c40-41(29-16-5-2-6-17-29,38-25-27-13-7-8-18-31(27)32-19-9-10-21-34(32)38)30-23-24-37-35(26-30)33-20-11-12-22-36(33)39(37)28-14-3-1-4-15-28/h1-26H.
What are the key properties of 3-[phenanthren-9-yl(phenyl)phosphoryl]-9-phenylcarbazole?
3-[phenanthren-9-yl(phenyl)phosphoryl]-9-phenylcarbazole has a molecular weight of 543.61 g/mol, XLogP of 8.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[phenanthren-9-yl(phenyl)phosphoryl]-9-phenylcarbazole is sourced from PubChem (CID 87159646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).