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

C42H24NO3P — CID 118220271

IUPAC23-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
SMILESO=P12c3ccccc3Oc3cc(-n4c5ccccc5c5ccccc54)cc(c31)Oc1c2ccc2c3ccccc3c3ccccc3c12
InChIInChI=1S/C42H24NO3P/c44-47-38-20-10-9-19-35(38)45-36-23-25(43-33-17-7-5-14-29(33)30-15-6-8-18-34(30)43)24-37(42(36)47)46-41-39(47)22-21-32-28-13-2-1-11-26(28)27-12-3-4-16-31(27)40(32)41/h1-24H
InChIKeyKYEIRDZKZPDGTQ-UHFFFAOYSA-N
MW621.63 g/mol
LogP10.09
Rot. Bonds1

About 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

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 (PubChem CID 118220271) has the molecular formula C42H24NO3P and a molecular weight of 621.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name23-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
PubChem CID118220271
Molecular FormulaC42H24NO3P
Molecular Weight621.63 g/mol
Exact Mass621.15
IUPAC Name23-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
SMILESO=P12c3ccccc3Oc3cc(-n4c5ccccc5c5ccccc54)cc(c31)Oc1c2ccc2c3ccccc3c3ccccc3c12
InChIInChI=1S/C42H24NO3P/c44-47-38-20-10-9-19-35(38)45-36-23-25(43-33-17-7-5-14-29(33)30-15-6-8-18-34(30)43)24-37(42(36)47)46-41-39(47)22-21-32-28-13-2-1-11-26(28)27-12-3-4-16-31(27)40(32)41/h1-24H
InChIKeyKYEIRDZKZPDGTQ-UHFFFAOYSA-N
XLogP10.09
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.63
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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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
18-(4-carbazol-9-ylphenyl)-12-phenyl-15,21-dioxa-12-aza-1λ5-phosphaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16,18,20(28),22,24,26-dodecaene 1-oxide
CID 118219952
18-(4-carbazol-9-ylphenyl)-15,21-dioxa-12-thia-1λ5-phosphaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16,18,20(28),22,24,26-dodecaene 1-oxide
CID 118219930
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
10,12-di(carbazol-9-yl)-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide
CID 118219773
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
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
(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
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-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide
CID 153291842
3-[14-(10-oxo-10-phenylphenoxaphosphinin-3-yl)-[1,4]benzoxazino[2,3-b]phenoxazin-7-yl]-10-phenylphenoxaphosphinine 10-oxide
CID 130396342
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=P12c3ccccc3Oc3cc(-n4c5ccccc5c5ccccc54)cc(c31)Oc1c2ccc2c3ccccc3c3ccccc3c12.
What is the InChIKey of 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?
The InChIKey is KYEIRDZKZPDGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24NO3P/c44-47-38-20-10-9-19-35(38)45-36-23-25(43-33-17-7-5-14-29(33)30-15-6-8-18-34(30)43)24-37(42(36)47)46-41-39(47)22-21-32-28-13-2-1-11-26(28)27-12-3-4-16-31(27)40(32)41/h1-24H.
What are the key properties of 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?
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 has a molecular weight of 621.63 g/mol, XLogP of 10.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118220271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).