6-[3-(3,4,5,6,7,8-hexadeuterio-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline

C33H23N5O — CID 162772107

IUPAC6-[3-(3,4,5,6,7,8-hexadeuterio-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline
SMILES[2H]c1c(Oc2cccc(N3Cn4ccnc4-c4ccccc43)c2)cc2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccccn1
InChIInChI=1S/C33H23N5O/c1-4-13-30-26(10-1)27-16-15-25(21-31(27)38(30)32-14-5-6-17-34-32)39-24-9-7-8-23(20-24)37-22-36-19-18-35-33(36)28-11-2-3-12-29(28)37/h1-21H,22H2/i1D,4D,10D,13D,15D,16D
InChIKeyXAEDKLMNZFBNHY-LMYOINDXSA-N
MW511.62 g/mol
LogP7.94
Rot. Bonds4

About 6-[3-(3,4,5,6,7,8-hexadeuterio-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline

6-[3-(3,4,5,6,7,8-hexadeuterio-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline (PubChem CID 162772107) has the molecular formula C33H23N5O and a molecular weight of 511.62 g/mol. Its IUPAC name is 6-[3-(3,4,5,6,7,8-hexadeuterio-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[3-(3,4,5,6,7,8-hexadeuterio-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline
PubChem CID162772107
Molecular FormulaC33H23N5O
Molecular Weight511.62 g/mol
Exact Mass511.23
IUPAC Name6-[3-(3,4,5,6,7,8-hexadeuterio-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline
SMILES[2H]c1c(Oc2cccc(N3Cn4ccnc4-c4ccccc43)c2)cc2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccccn1
InChIInChI=1S/C33H23N5O/c1-4-13-30-26(10-1)27-16-15-25(21-31(27)38(30)32-14-5-6-17-34-32)39-24-9-7-8-23(20-24)37-22-36-19-18-35-33(36)28-11-2-3-12-29(28)37/h1-21H,22H2/i1D,4D,10D,13D,15D,16D
InChIKeyXAEDKLMNZFBNHY-LMYOINDXSA-N
XLogP7.94
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.62
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline
CID 162771880
6-[3-(9-pyridin-2-ylcarbazol-2-yl)oxy-5-(2,4,6-trimethylphenyl)phenyl]-5H-imidazo[1,2-c]quinazoline
CID 162771944
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-yl-6-(2,3,5,6-tetradeuterio-4-methylphenyl)carbazole
CID 158273463
7-[3-[3-[2-(3-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuteriocarbazole
CID 170780447
9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuterio-7-[3-[3-(4-deuterio-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 164749763
22-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14,16,18,23,25-dodecaene
CID 176821515
6-(3,5-ditert-butylphenyl)-2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 164788741
7-[3-[3-[4-tert-butyl-2-(3-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-1,2,3,4,5,6-hexadeuteriocarbazole
CID 170780418
9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155606671
(1R,8S)-10-(2,3,4,5,6-pentadeuteriophenyl)-12-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-10,12-diazatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene
CID 162503352
(1R,8S)-10-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-12-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-10,12-diazatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene
CID 162503334
1-pyridin-2-yl-3-[3-[3-[3-[4-[3-[3-[3-(3-pyridin-2-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-2H-benzimidazole
CID 166007124

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3,4,5,6,7,8-hexadeuterio-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline?
The IUPAC name of 6-[3-(3,4,5,6,7,8-hexadeuterio-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline (CID 162772107) is 6-[3-(3,4,5,6,7,8-hexadeuterio-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline.
What is the SMILES notation for 6-[3-(3,4,5,6,7,8-hexadeuterio-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline?
The canonical SMILES for 6-[3-(3,4,5,6,7,8-hexadeuterio-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline is [2H]c1c(Oc2cccc(N3Cn4ccnc4-c4ccccc43)c2)cc2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccccn1.
What is the InChIKey of 6-[3-(3,4,5,6,7,8-hexadeuterio-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline?
The InChIKey is XAEDKLMNZFBNHY-LMYOINDXSA-N. The full InChI is InChI=1S/C33H23N5O/c1-4-13-30-26(10-1)27-16-15-25(21-31(27)38(30)32-14-5-6-17-34-32)39-24-9-7-8-23(20-24)37-22-36-19-18-35-33(36)28-11-2-3-12-29(28)37/h1-21H,22H2/i1D,4D,10D,13D,15D,16D.
What are the key properties of 6-[3-(3,4,5,6,7,8-hexadeuterio-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline?
6-[3-(3,4,5,6,7,8-hexadeuterio-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline has a molecular weight of 511.62 g/mol, XLogP of 7.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3,4,5,6,7,8-hexadeuterio-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline is sourced from PubChem (CID 162772107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).