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

C46H27N — CID 90180403

IUPAC3-(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
SMILESc1ccc2c(C3=C4C(=C(c5ccc6[nH]c7ccccc7c6c5)c5c4ccc4ccccc54)c4ccc5ccccc5c43)cccc2c1
InChIInChI=1S/C46H27N/c1-4-14-31-27(10-1)13-9-18-35(31)44-43-33-16-6-3-12-29(33)21-24-37(43)45-41(42-32-15-5-2-11-28(32)20-23-36(42)46(44)45)30-22-25-40-38(26-30)34-17-7-8-19-39(34)47-40/h1-26,47H
InChIKeyNMMSOTSYHDTRSE-UHFFFAOYSA-N
MW593.73 g/mol
LogP12.03
Rot. Bonds2

About 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

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 (PubChem CID 90180403) has the molecular formula C46H27N and a molecular weight of 593.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID90180403
Molecular FormulaC46H27N
Molecular Weight593.73 g/mol
Exact Mass593.21
IUPAC Name3-(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
SMILESc1ccc2c(C3=C4C(=C(c5ccc6[nH]c7ccccc7c6c5)c5c4ccc4ccccc54)c4ccc5ccccc5c43)cccc2c1
InChIInChI=1S/C46H27N/c1-4-14-31-27(10-1)13-9-18-35(31)44-43-33-16-6-3-12-29(33)21-24-37(43)45-41(42-32-15-5-2-11-28(32)20-23-36(42)46(44)45)30-22-25-40-38(26-30)34-17-7-8-19-39(34)47-40/h1-26,47H
InChIKeyNMMSOTSYHDTRSE-UHFFFAOYSA-N
XLogP12.03
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.73
LogP ≤ 512.03
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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(C3=C4C(=C(c5ccc6[nH]c7ccccc7c6c5)c5c4ccc4ccccc54)c4ccc5ccccc5c43)cccc2c1.
What is the InChIKey of 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?
The InChIKey is NMMSOTSYHDTRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N/c1-4-14-31-27(10-1)13-9-18-35(31)44-43-33-16-6-3-12-29(33)21-24-37(43)45-41(42-32-15-5-2-11-28(32)20-23-36(42)46(44)45)30-22-25-40-38(26-30)34-17-7-8-19-39(34)47-40/h1-26,47H.
What are the key properties of 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?
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 has a molecular weight of 593.73 g/mol, XLogP of 12.03, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90180403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).