6-(9H-carbazol-2-yl)-19-(3,7-dimethoxyphenoxazin-10-yl)pentacyclo[13.9.0.03,13.05,10.018,23]tetracosa-1(15),2,5(10),6,8,11,13,16,18(23),19,21-undecaene-4,24-dione

C50H32N2O5 — CID 122430574

IUPAC6-(9H-carbazol-2-yl)-19-(3,7-dimethoxyphenoxazin-10-yl)pentacyclo[13.9.0.03,13.05,10.018,23]tetracosa-1(15),2,5(10),6,8,11,13,16,18(23),19,21-undecaene-4,24-dione
SMILESCOc1ccc2c(c1)Oc1cc(OC)ccc1N2c1cccc2c(=O)c3cc4c(=O)c5c(-c6ccc7c(c6)[nH]c6ccccc67)cccc5ccc4cc3ccc12
InChIInChI=1S/C50H32N2O5/c1-55-32-17-21-44-46(25-32)57-47-26-33(56-2)18-22-45(47)52(44)43-12-6-10-38-37(43)20-16-30-23-29-14-13-28-7-5-9-34(48(28)50(54)40(29)27-39(30)49(38)53)31-15-19-36-35-8-3-4-11-41(35)51-42(36)24-31/h3-27,51H,1-2H3
InChIKeySPSDABVIKHBDKB-UHFFFAOYSA-N
MW740.82 g/mol
LogP11.91
Rot. Bonds4

About 6-(9H-carbazol-2-yl)-19-(3,7-dimethoxyphenoxazin-10-yl)pentacyclo[13.9.0.03,13.05,10.018,23]tetracosa-1(15),2,5(10),6,8,11,13,16,18(23),19,21-undecaene-4,24-dione

6-(9H-carbazol-2-yl)-19-(3,7-dimethoxyphenoxazin-10-yl)pentacyclo[13.9.0.03,13.05,10.018,23]tetracosa-1(15),2,5(10),6,8,11,13,16,18(23),19,21-undecaene-4,24-dione (PubChem CID 122430574) has the molecular formula C50H32N2O5 and a molecular weight of 740.82 g/mol. Its IUPAC name is 6-(9H-carbazol-2-yl)-19-(3,7-dimethoxyphenoxazin-10-yl)pentacyclo[13.9.0.03,13.05,10.018,23]tetracosa-1(15),2,5(10),6,8,11,13,16,18(23),19,21-undecaene-4,24-dione.

Molecular Properties

Compound Name6-(9H-carbazol-2-yl)-19-(3,7-dimethoxyphenoxazin-10-yl)pentacyclo[13.9.0.03,13.05,10.018,23]tetracosa-1(15),2,5(10),6,8,11,13,16,18(23),19,21-undecaene-4,24-dione
PubChem CID122430574
Molecular FormulaC50H32N2O5
Molecular Weight740.82 g/mol
Exact Mass740.23
IUPAC Name6-(9H-carbazol-2-yl)-19-(3,7-dimethoxyphenoxazin-10-yl)pentacyclo[13.9.0.03,13.05,10.018,23]tetracosa-1(15),2,5(10),6,8,11,13,16,18(23),19,21-undecaene-4,24-dione
SMILESCOc1ccc2c(c1)Oc1cc(OC)ccc1N2c1cccc2c(=O)c3cc4c(=O)c5c(-c6ccc7c(c6)[nH]c6ccccc67)cccc5ccc4cc3ccc12
InChIInChI=1S/C50H32N2O5/c1-55-32-17-21-44-46(25-32)57-47-26-33(56-2)18-22-45(47)52(44)43-12-6-10-38-37(43)20-16-30-23-29-14-13-28-7-5-9-34(48(28)50(54)40(29)27-39(30)49(38)53)31-15-19-36-35-8-3-4-11-41(35)51-42(36)24-31/h3-27,51H,1-2H3
InChIKeySPSDABVIKHBDKB-UHFFFAOYSA-N
XLogP11.91
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.82
LogP ≤ 511.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(9H-carbazol-2-yl)-19-(3,7-dimethoxyphenoxazin-10-yl)pentacyclo[13.9.0.03,13.05,10.018,23]tetracosa-1(15),2,5(10),6,8,11,13,16,18(23),19,21-undecaene-4,24-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(9H-carbazol-2-yl)-19-(3,7-dimethoxyphenoxazin-10-yl)pentacyclo[13.9.0.03,13.05,10.018,23]tetracosa-1(15),2,5(10),6,8,11,13,16,18(23),19,21-undecaene-4,24-dione?
The IUPAC name of 6-(9H-carbazol-2-yl)-19-(3,7-dimethoxyphenoxazin-10-yl)pentacyclo[13.9.0.03,13.05,10.018,23]tetracosa-1(15),2,5(10),6,8,11,13,16,18(23),19,21-undecaene-4,24-dione (CID 122430574) is 6-(9H-carbazol-2-yl)-19-(3,7-dimethoxyphenoxazin-10-yl)pentacyclo[13.9.0.03,13.05,10.018,23]tetracosa-1(15),2,5(10),6,8,11,13,16,18(23),19,21-undecaene-4,24-dione.
What is the SMILES notation for 6-(9H-carbazol-2-yl)-19-(3,7-dimethoxyphenoxazin-10-yl)pentacyclo[13.9.0.03,13.05,10.018,23]tetracosa-1(15),2,5(10),6,8,11,13,16,18(23),19,21-undecaene-4,24-dione?
The canonical SMILES for 6-(9H-carbazol-2-yl)-19-(3,7-dimethoxyphenoxazin-10-yl)pentacyclo[13.9.0.03,13.05,10.018,23]tetracosa-1(15),2,5(10),6,8,11,13,16,18(23),19,21-undecaene-4,24-dione is COc1ccc2c(c1)Oc1cc(OC)ccc1N2c1cccc2c(=O)c3cc4c(=O)c5c(-c6ccc7c(c6)[nH]c6ccccc67)cccc5ccc4cc3ccc12.
What is the InChIKey of 6-(9H-carbazol-2-yl)-19-(3,7-dimethoxyphenoxazin-10-yl)pentacyclo[13.9.0.03,13.05,10.018,23]tetracosa-1(15),2,5(10),6,8,11,13,16,18(23),19,21-undecaene-4,24-dione?
The InChIKey is SPSDABVIKHBDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O5/c1-55-32-17-21-44-46(25-32)57-47-26-33(56-2)18-22-45(47)52(44)43-12-6-10-38-37(43)20-16-30-23-29-14-13-28-7-5-9-34(48(28)50(54)40(29)27-39(30)49(38)53)31-15-19-36-35-8-3-4-11-41(35)51-42(36)24-31/h3-27,51H,1-2H3.
What are the key properties of 6-(9H-carbazol-2-yl)-19-(3,7-dimethoxyphenoxazin-10-yl)pentacyclo[13.9.0.03,13.05,10.018,23]tetracosa-1(15),2,5(10),6,8,11,13,16,18(23),19,21-undecaene-4,24-dione?
6-(9H-carbazol-2-yl)-19-(3,7-dimethoxyphenoxazin-10-yl)pentacyclo[13.9.0.03,13.05,10.018,23]tetracosa-1(15),2,5(10),6,8,11,13,16,18(23),19,21-undecaene-4,24-dione has a molecular weight of 740.82 g/mol, XLogP of 11.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9H-carbazol-2-yl)-19-(3,7-dimethoxyphenoxazin-10-yl)pentacyclo[13.9.0.03,13.05,10.018,23]tetracosa-1(15),2,5(10),6,8,11,13,16,18(23),19,21-undecaene-4,24-dione is sourced from PubChem (CID 122430574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).