3-phenyl-1-(1-phenyldiazetidin-3-yl)-9H-carbazole

C26H21N3 — CID 118930654

IUPAC3-phenyl-1-(1-phenyldiazetidin-3-yl)-9H-carbazole
SMILESc1ccc(-c2cc(C3CN(c4ccccc4)N3)c3[nH]c4ccccc4c3c2)cc1
InChIInChI=1S/C26H21N3/c1-3-9-18(10-4-1)19-15-22-21-13-7-8-14-24(21)27-26(22)23(16-19)25-17-29(28-25)20-11-5-2-6-12-20/h1-16,25,27-28H,17H2
InChIKeyOHZDWJQHVQKRLD-UHFFFAOYSA-N
MW375.48 g/mol
LogP6.05
Rot. Bonds3

About 3-phenyl-1-(1-phenyldiazetidin-3-yl)-9H-carbazole

3-phenyl-1-(1-phenyldiazetidin-3-yl)-9H-carbazole (PubChem CID 118930654) has the molecular formula C26H21N3 and a molecular weight of 375.48 g/mol. Its IUPAC name is 3-phenyl-1-(1-phenyldiazetidin-3-yl)-9H-carbazole.

Molecular Properties

Compound Name3-phenyl-1-(1-phenyldiazetidin-3-yl)-9H-carbazole
PubChem CID118930654
Molecular FormulaC26H21N3
Molecular Weight375.48 g/mol
Exact Mass375.17
IUPAC Name3-phenyl-1-(1-phenyldiazetidin-3-yl)-9H-carbazole
SMILESc1ccc(-c2cc(C3CN(c4ccccc4)N3)c3[nH]c4ccccc4c3c2)cc1
InChIInChI=1S/C26H21N3/c1-3-9-18(10-4-1)19-15-22-21-13-7-8-14-24(21)27-26(22)23(16-19)25-17-29(28-25)20-11-5-2-6-12-20/h1-16,25,27-28H,17H2
InChIKeyOHZDWJQHVQKRLD-UHFFFAOYSA-N
XLogP6.05
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.48
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-3-(1-phenyl-9H-carbazol-3-yl)-9H-carbazole
CID 175910913
1-[15-(9-phenylcarbazol-4-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaenyl]-3-(3-phenylphenyl)-9H-carbazole
CID 167201247
8-phenyl-6-(4-phenylphenyl)-5H-benzo[b]carbazole
CID 172768934
1,1'-biphenyl;5-[3-(3-phenylphenyl)phenyl]-12H-indolo[3,2-c]carbazole
CID 142615329
1,3-bis(1-phenylindol-5-yl)-9H-carbazole;ethane;molecular hydrogen
CID 144941684
1,2-diphenyl-10H-pyrrolo[2,3-a]carbazole
CID 90090936
7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
CID 90223157
6-phenyl-5H-benzo[b]carbazole
CID 10756140
1,3,6-triphenyl-9H-carbazole
CID 118052457
1-cyclopentyl-9H-carbazole
CID 173176486
3-(9H-carbazol-2-yl)-9-(3-phenylphenyl)carbazole
CID 122652205
4-chloro-3-phenyl-10H-pyrrolo[3,2-a]carbazole
CID 90270899

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(1-phenyldiazetidin-3-yl)-9H-carbazole?
The IUPAC name of 3-phenyl-1-(1-phenyldiazetidin-3-yl)-9H-carbazole (CID 118930654) is 3-phenyl-1-(1-phenyldiazetidin-3-yl)-9H-carbazole.
What is the SMILES notation for 3-phenyl-1-(1-phenyldiazetidin-3-yl)-9H-carbazole?
The canonical SMILES for 3-phenyl-1-(1-phenyldiazetidin-3-yl)-9H-carbazole is c1ccc(-c2cc(C3CN(c4ccccc4)N3)c3[nH]c4ccccc4c3c2)cc1.
What is the InChIKey of 3-phenyl-1-(1-phenyldiazetidin-3-yl)-9H-carbazole?
The InChIKey is OHZDWJQHVQKRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3/c1-3-9-18(10-4-1)19-15-22-21-13-7-8-14-24(21)27-26(22)23(16-19)25-17-29(28-25)20-11-5-2-6-12-20/h1-16,25,27-28H,17H2.
What are the key properties of 3-phenyl-1-(1-phenyldiazetidin-3-yl)-9H-carbazole?
3-phenyl-1-(1-phenyldiazetidin-3-yl)-9H-carbazole has a molecular weight of 375.48 g/mol, XLogP of 6.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(1-phenyldiazetidin-3-yl)-9H-carbazole is sourced from PubChem (CID 118930654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).