[4-[3-(3-methoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid

C25H20NO4P — CID 177244626

IUPAC[4-[3-(3-methoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
SMILESCOc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc(P(=O)(O)O)cc2)c1
InChIInChI=1S/C25H20NO4P/c1-30-20-11-14-25-23(16-20)22-7-2-3-8-24(22)26(25)19-6-4-5-18(15-19)17-9-12-21(13-10-17)31(27,28)29/h2-16H,1H3,(H2,27,28,29)
InChIKeyJJKDXRPWRGDRFU-UHFFFAOYSA-N
MW429.41 g/mol
LogP5.26
Rot. Bonds4

About [4-[3-(3-methoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid

[4-[3-(3-methoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid (PubChem CID 177244626) has the molecular formula C25H20NO4P and a molecular weight of 429.41 g/mol. Its IUPAC name is [4-[3-(3-methoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid.

Molecular Properties

Compound Name[4-[3-(3-methoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
PubChem CID177244626
Molecular FormulaC25H20NO4P
Molecular Weight429.41 g/mol
Exact Mass429.11
IUPAC Name[4-[3-(3-methoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
SMILESCOc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc(P(=O)(O)O)cc2)c1
InChIInChI=1S/C25H20NO4P/c1-30-20-11-14-25-23(16-20)22-7-2-3-8-24(22)26(25)19-6-4-5-18(15-19)17-9-12-21(13-10-17)31(27,28)29/h2-16H,1H3,(H2,27,28,29)
InChIKeyJJKDXRPWRGDRFU-UHFFFAOYSA-N
XLogP5.26
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.41
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244510
[3-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244570
[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244499
[3-[3-(3-bromocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244545
[3-(3-ethoxycarbazol-9-yl)phenyl]phosphonic acid
CID 178181472
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
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
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
[4-[4-(2-ethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 178181460
9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole
CID 153162679
9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-[9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 167244726
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265445

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3-methoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid?
The IUPAC name of [4-[3-(3-methoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid (CID 177244626) is [4-[3-(3-methoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid.
What is the SMILES notation for [4-[3-(3-methoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid?
The canonical SMILES for [4-[3-(3-methoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid is COc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc(P(=O)(O)O)cc2)c1.
What is the InChIKey of [4-[3-(3-methoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid?
The InChIKey is JJKDXRPWRGDRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20NO4P/c1-30-20-11-14-25-23(16-20)22-7-2-3-8-24(22)26(25)19-6-4-5-18(15-19)17-9-12-21(13-10-17)31(27,28)29/h2-16H,1H3,(H2,27,28,29).
What are the key properties of [4-[3-(3-methoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid?
[4-[3-(3-methoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid has a molecular weight of 429.41 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3-methoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid is sourced from PubChem (CID 177244626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).