3-(5-phenylindeno[1,2-b]inden-10-yl)-9H-carbazole

C34H21N — CID 90180362

IUPAC3-(5-phenylindeno[1,2-b]inden-10-yl)-9H-carbazole
SMILESc1ccc(C2=C3C(=C(c4ccc5[nH]c6ccccc6c5c4)c4ccccc43)c3ccccc32)cc1
InChIInChI=1S/C34H21N/c1-2-10-21(11-3-1)31-24-13-4-6-15-26(24)34-32(25-14-5-7-16-27(25)33(31)34)22-18-19-30-28(20-22)23-12-8-9-17-29(23)35-30/h1-20,35H
InChIKeyLRQBNHOJGAIGKM-UHFFFAOYSA-N
MW443.55 g/mol
LogP8.57
Rot. Bonds2

About 3-(5-phenylindeno[1,2-b]inden-10-yl)-9H-carbazole

3-(5-phenylindeno[1,2-b]inden-10-yl)-9H-carbazole (PubChem CID 90180362) has the molecular formula C34H21N and a molecular weight of 443.55 g/mol. Its IUPAC name is 3-(5-phenylindeno[1,2-b]inden-10-yl)-9H-carbazole.

Molecular Properties

Compound Name3-(5-phenylindeno[1,2-b]inden-10-yl)-9H-carbazole
PubChem CID90180362
Molecular FormulaC34H21N
Molecular Weight443.55 g/mol
Exact Mass443.17
IUPAC Name3-(5-phenylindeno[1,2-b]inden-10-yl)-9H-carbazole
SMILESc1ccc(C2=C3C(=C(c4ccc5[nH]c6ccccc6c5c4)c4ccccc43)c3ccccc32)cc1
InChIInChI=1S/C34H21N/c1-2-10-21(11-3-1)31-24-13-4-6-15-26(24)34-32(25-14-5-7-16-27(25)33(31)34)22-18-19-30-28(20-22)23-12-8-9-17-29(23)35-30/h1-20,35H
InChIKeyLRQBNHOJGAIGKM-UHFFFAOYSA-N
XLogP8.57
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 58.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenylindeno[1,2-b]inden-10-yl)-9H-carbazole?
The IUPAC name of 3-(5-phenylindeno[1,2-b]inden-10-yl)-9H-carbazole (CID 90180362) is 3-(5-phenylindeno[1,2-b]inden-10-yl)-9H-carbazole.
What is the SMILES notation for 3-(5-phenylindeno[1,2-b]inden-10-yl)-9H-carbazole?
The canonical SMILES for 3-(5-phenylindeno[1,2-b]inden-10-yl)-9H-carbazole is c1ccc(C2=C3C(=C(c4ccc5[nH]c6ccccc6c5c4)c4ccccc43)c3ccccc32)cc1.
What is the InChIKey of 3-(5-phenylindeno[1,2-b]inden-10-yl)-9H-carbazole?
The InChIKey is LRQBNHOJGAIGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N/c1-2-10-21(11-3-1)31-24-13-4-6-15-26(24)34-32(25-14-5-7-16-27(25)33(31)34)22-18-19-30-28(20-22)23-12-8-9-17-29(23)35-30/h1-20,35H.
What are the key properties of 3-(5-phenylindeno[1,2-b]inden-10-yl)-9H-carbazole?
3-(5-phenylindeno[1,2-b]inden-10-yl)-9H-carbazole has a molecular weight of 443.55 g/mol, XLogP of 8.57, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenylindeno[1,2-b]inden-10-yl)-9H-carbazole is sourced from PubChem (CID 90180362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).