(1R)-15-(3,6-dimethylcarbazol-9-yl)-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide

C36H24NO3P — CID 163673404

IUPAC(1R)-15-(3,6-dimethylcarbazol-9-yl)-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc2c3c(c1)Oc1ccc4ccccc4c1[P@]3(=O)c1ccccc1O2
InChIInChI=1S/C36H24NO3P/c1-21-11-14-28-26(17-21)27-18-22(2)12-15-29(27)37(28)24-19-32-36-33(20-24)40-31-16-13-23-7-3-4-8-25(23)35(31)41(36,38)34-10-6-5-9-30(34)39-32/h3-20H,1-2H3/t41-/m1/s1
InChIKeyJENORGPTRQJHBK-VQJSHJPSSA-N
MW549.57 g/mol
LogP8.40
Rot. Bonds1

About (1R)-15-(3,6-dimethylcarbazol-9-yl)-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide

(1R)-15-(3,6-dimethylcarbazol-9-yl)-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide (PubChem CID 163673404) has the molecular formula C36H24NO3P and a molecular weight of 549.57 g/mol. Its IUPAC name is (1R)-15-(3,6-dimethylcarbazol-9-yl)-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide.

Molecular Properties

Compound Name(1R)-15-(3,6-dimethylcarbazol-9-yl)-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide
PubChem CID163673404
Molecular FormulaC36H24NO3P
Molecular Weight549.57 g/mol
Exact Mass549.15
IUPAC Name(1R)-15-(3,6-dimethylcarbazol-9-yl)-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc2c3c(c1)Oc1ccc4ccccc4c1[P@]3(=O)c1ccccc1O2
InChIInChI=1S/C36H24NO3P/c1-21-11-14-28-26(17-21)27-18-22(2)12-15-29(27)37(28)24-19-32-36-33(20-24)40-31-16-13-23-7-3-4-8-25(23)35(31)41(36,38)34-10-6-5-9-30(34)39-32/h3-20H,1-2H3/t41-/m1/s1
InChIKeyJENORGPTRQJHBK-VQJSHJPSSA-N
XLogP8.40
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.57
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R)-15-(3,6-dimethylcarbazol-9-yl)-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-carbazol-9-yl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
CID 118220322
11-(9-phenylcarbazol-3-yl)-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
CID 118220317
23-carbazol-9-yl-20,26-dioxa-1λ5-phosphaoctacyclo[19.11.1.02,19.05,18.06,11.012,17.025,33.027,32]tritriaconta-2(19),3,5(18),6,8,10,12,14,16,21,23,25(33),27,29,31-pentadecaene 1-oxide
CID 118220271
8,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.020,25]nonacosa-2,4,6,9(29),10,12,14,16,19(28),20,22,24,26-tridecaene 1-oxide;10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene 17-oxide;12,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.021,26]nonacosa-2(11),3,5,7,9,13(29),14,16,19,21,23,25,27-tridecaene 1-oxide;8,18-dioxa-1λ5-phosphahexacyclo[15.7.1.02,7.09,25.010,15.019,24]pentacosa-2,4,6,9(25),10,12,14,16,19,21,23-undecaene 1-oxide;12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide
CID 160743650
10-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide
CID 153291842
15-naphthalen-1-yl-12,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene 1-oxide
CID 118219693
9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-3,6-dimethylcarbazole
CID 163727345
10-carbazol-9-yl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
CID 118220321
10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene 17-oxide
CID 118219669
10-methyl-7-phenylbenzo[c]carbazole
CID 66635542
5,11,22,28-tetraoxa-1λ5,18λ5-diphosphanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6,8,10(36),12,14,16,19,23,25,27(35),29,31,33-pentadecaene 1,18-dioxide
CID 118219678
7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.03,22.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3(22),4,6(21),8,10,12(40),14,16,18,23,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide;7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.05,24.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3,5(24),6(21),8,10,12(40),14,16,18,22,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide
CID 159047296

Frequently Asked Questions

What is the IUPAC name of (1R)-15-(3,6-dimethylcarbazol-9-yl)-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide?
The IUPAC name of (1R)-15-(3,6-dimethylcarbazol-9-yl)-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide (CID 163673404) is (1R)-15-(3,6-dimethylcarbazol-9-yl)-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide.
What is the SMILES notation for (1R)-15-(3,6-dimethylcarbazol-9-yl)-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide?
The canonical SMILES for (1R)-15-(3,6-dimethylcarbazol-9-yl)-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc2c3c(c1)Oc1ccc4ccccc4c1[P@]3(=O)c1ccccc1O2.
What is the InChIKey of (1R)-15-(3,6-dimethylcarbazol-9-yl)-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide?
The InChIKey is JENORGPTRQJHBK-VQJSHJPSSA-N. The full InChI is InChI=1S/C36H24NO3P/c1-21-11-14-28-26(17-21)27-18-22(2)12-15-29(27)37(28)24-19-32-36-33(20-24)40-31-16-13-23-7-3-4-8-25(23)35(31)41(36,38)34-10-6-5-9-30(34)39-32/h3-20H,1-2H3/t41-/m1/s1.
What are the key properties of (1R)-15-(3,6-dimethylcarbazol-9-yl)-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide?
(1R)-15-(3,6-dimethylcarbazol-9-yl)-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide has a molecular weight of 549.57 g/mol, XLogP of 8.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-15-(3,6-dimethylcarbazol-9-yl)-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide is sourced from PubChem (CID 163673404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).