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

C42H25N — CID 90180420

IUPAC3-(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
SMILESc1ccc(C2=C3C(=C(c4ccc5[nH]c6ccccc6c5c4)c4ccc5ccccc5c43)c3ccc4ccccc4c32)cc1
InChIInChI=1S/C42H25N/c1-2-12-27(13-3-1)38-39-29-14-6-4-10-25(29)19-22-33(39)41-37(32-21-18-26-11-5-7-15-30(26)40(32)42(38)41)28-20-23-36-34(24-28)31-16-8-9-17-35(31)43-36/h1-24,43H
InChIKeyLLCCSBQCWVNFTK-UHFFFAOYSA-N
MW543.67 g/mol
LogP10.87
Rot. Bonds2

About 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

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 (PubChem CID 90180420) has the molecular formula C42H25N and a molecular weight of 543.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID90180420
Molecular FormulaC42H25N
Molecular Weight543.67 g/mol
Exact Mass543.20
IUPAC Name3-(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
SMILESc1ccc(C2=C3C(=C(c4ccc5[nH]c6ccccc6c5c4)c4ccc5ccccc5c43)c3ccc4ccccc4c32)cc1
InChIInChI=1S/C42H25N/c1-2-12-27(13-3-1)38-39-29-14-6-4-10-25(29)19-22-33(39)41-37(32-21-18-26-11-5-7-15-30(26)40(32)42(38)41)28-20-23-36-34(24-28)31-16-8-9-17-35(31)43-36/h1-24,43H
InChIKeyLLCCSBQCWVNFTK-UHFFFAOYSA-N
XLogP10.87
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.67
LogP ≤ 510.87
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-(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2=C3C(=C(c4ccc5[nH]c6ccccc6c5c4)c4ccc5ccccc5c43)c3ccc4ccccc4c32)cc1.
What is the InChIKey of 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?
The InChIKey is LLCCSBQCWVNFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N/c1-2-12-27(13-3-1)38-39-29-14-6-4-10-25(29)19-22-33(39)41-37(32-21-18-26-11-5-7-15-30(26)40(32)42(38)41)28-20-23-36-34(24-28)31-16-8-9-17-35(31)43-36/h1-24,43H.
What are the key properties of 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?
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 has a molecular weight of 543.67 g/mol, XLogP of 10.87, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90180420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).