[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-methyl-(4-methyl-2-pyridinyl)phosphane

C34H32N3P — CID 157440294

IUPAC[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-methyl-(4-methyl-2-pyridinyl)phosphane
SMILESCc1ccnc(P(C)c2cccc(-c3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c1
InChIInChI=1S/C34H32N3P/c1-23-15-17-36-33(19-23)38(5)27-10-8-9-24(20-27)25-13-14-29-28-11-6-7-12-30(28)37(31(29)21-25)32-22-26(16-18-35-32)34(2,3)4/h6-22H,1-5H3
InChIKeyIZYGWPDIDCEPOG-UHFFFAOYSA-N
MW513.63 g/mol
LogP7.91
Rot. Bonds4

About [3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-methyl-(4-methyl-2-pyridinyl)phosphane

[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-methyl-(4-methyl-2-pyridinyl)phosphane (PubChem CID 157440294) has the molecular formula C34H32N3P and a molecular weight of 513.63 g/mol. Its IUPAC name is [3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-methyl-(4-methyl-2-pyridinyl)phosphane.

Molecular Properties

Compound Name[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-methyl-(4-methyl-2-pyridinyl)phosphane
PubChem CID157440294
Molecular FormulaC34H32N3P
Molecular Weight513.63 g/mol
Exact Mass513.23
IUPAC Name[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-methyl-(4-methyl-2-pyridinyl)phosphane
SMILESCc1ccnc(P(C)c2cccc(-c3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c1
InChIInChI=1S/C34H32N3P/c1-23-15-17-36-33(19-23)38(5)27-10-8-9-24(20-27)25-13-14-29-28-11-6-7-12-30(28)37(31(29)21-25)32-22-26(16-18-35-32)34(2,3)4/h6-22H,1-5H3
InChIKeyIZYGWPDIDCEPOG-UHFFFAOYSA-N
XLogP7.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.63
LogP ≤ 57.91
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

methyl-(4-methyl-2-pyridinyl)-[3-[9-(3-methyl-2-pyridinyl)carbazol-2-yl]phenyl]phosphane
CID 159863154
9-(4-tert-butyl-2-pyridinyl)carbazole
CID 141429222
9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2-pyridinyl)carbazol-9-yl]carbazole
CID 161155623
2-[4-(4-tert-butylphenyl)-6-chloro-1,3,5-triazin-2-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 164786555
2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153421843
15-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-18-phenyl-8-oxa-15-azatetracyclo[14.4.0.02,7.09,14]icosa-1(16),2,4,6,9,11,13,17,19-nonaene
CID 176861943
20-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-17-pyridin-2-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 163456260
dimethyl-(3-methyl-2-pyridinyl)-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]phenyl]silane
CID 157115995
2-(3-tert-butyl-5-isoquinolin-1-yloxyphenyl)-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153421001
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-1,2,4-triazol-4-yl)phenoxy]carbazole
CID 170654633
9-(4-tert-butyl-2-pyridinyl)-2-(5-pyridin-2-yloxy-3-pyridinyl)carbazole
CID 153421354
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375

Frequently Asked Questions

What is the IUPAC name of [3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-methyl-(4-methyl-2-pyridinyl)phosphane?
The IUPAC name of [3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-methyl-(4-methyl-2-pyridinyl)phosphane (CID 157440294) is [3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-methyl-(4-methyl-2-pyridinyl)phosphane.
What is the SMILES notation for [3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-methyl-(4-methyl-2-pyridinyl)phosphane?
The canonical SMILES for [3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-methyl-(4-methyl-2-pyridinyl)phosphane is Cc1ccnc(P(C)c2cccc(-c3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c1.
What is the InChIKey of [3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-methyl-(4-methyl-2-pyridinyl)phosphane?
The InChIKey is IZYGWPDIDCEPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N3P/c1-23-15-17-36-33(19-23)38(5)27-10-8-9-24(20-27)25-13-14-29-28-11-6-7-12-30(28)37(31(29)21-25)32-22-26(16-18-35-32)34(2,3)4/h6-22H,1-5H3.
What are the key properties of [3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-methyl-(4-methyl-2-pyridinyl)phosphane?
[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-methyl-(4-methyl-2-pyridinyl)phosphane has a molecular weight of 513.63 g/mol, XLogP of 7.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-methyl-(4-methyl-2-pyridinyl)phosphane is sourced from PubChem (CID 157440294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).