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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Related Compounds

3-(24-phenyl-12-hexacyclo[11.11.0.02,11.03,8.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaenyl)-9H-carbazole
CID 90180420
3-(24-naphthalen-1-yl-12-hexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaenyl)-9H-carbazole
CID 90180403
N-[2-(9H-carbazol-3-yl)phenyl]-N,2-diphenylaniline
CID 148771233
5-phenyl-10-[4-(5-phenylindeno[1,2-b]inden-10-yl)phenyl]indeno[2,1-a]indene
CID 177426395
3-(3,5-diphenylphenyl)-6-phenyl-9H-carbazole
CID 176723947
3-(4,6-diphenylpyrimidin-2-yl)-9H-carbazole
CID 139504814
3-naphthalen-1-yl-6-phenyl-9H-carbazole
CID 118099289
3-(6-phenylpyren-1-yl)-9H-carbazole
CID 134424912
9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole
CID 59306592
3-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]-9H-carbazole
CID 146669504
3-(3,4-dimethylnaphthalen-1-yl)-9H-carbazole
CID 144661628
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811

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).