9-[4-(16,22-dioxa-1-phosphaheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17,19,21(29),23,25,27-tridecaen-19-yl)phenyl]carbazole

C44H26NO2P — CID 144879175

IUPAC9-[4-(16,22-dioxa-1-phosphaheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17,19,21(29),23,25,27-tridecaen-19-yl)phenyl]carbazole
SMILESc1ccc2c(c1)Oc1cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc3c1P2c1c(c2ccccc2c2ccccc12)O3
InChIInChI=1S/C44H26NO2P/c1-3-15-34-30(11-1)31-12-2-4-16-35(31)43-42(34)47-40-26-28(25-39-44(40)48(43)41-20-10-9-19-38(41)46-39)27-21-23-29(24-22-27)45-36-17-7-5-13-32(36)33-14-6-8-18-37(33)45/h1-26H
InChIKeyCJLMLMKOCAOMRM-UHFFFAOYSA-N
MW631.67 g/mol
LogP10.73
Rot. Bonds2

About 9-[4-(16,22-dioxa-1-phosphaheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17,19,21(29),23,25,27-tridecaen-19-yl)phenyl]carbazole

9-[4-(16,22-dioxa-1-phosphaheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17,19,21(29),23,25,27-tridecaen-19-yl)phenyl]carbazole (PubChem CID 144879175) has the molecular formula C44H26NO2P and a molecular weight of 631.67 g/mol. Its IUPAC name is 9-[4-(16,22-dioxa-1-phosphaheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17,19,21(29),23,25,27-tridecaen-19-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(16,22-dioxa-1-phosphaheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17,19,21(29),23,25,27-tridecaen-19-yl)phenyl]carbazole
PubChem CID144879175
Molecular FormulaC44H26NO2P
Molecular Weight631.67 g/mol
Exact Mass631.17
IUPAC Name9-[4-(16,22-dioxa-1-phosphaheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17,19,21(29),23,25,27-tridecaen-19-yl)phenyl]carbazole
SMILESc1ccc2c(c1)Oc1cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc3c1P2c1c(c2ccccc2c2ccccc12)O3
InChIInChI=1S/C44H26NO2P/c1-3-15-34-30(11-1)31-12-2-4-16-35(31)43-42(34)47-40-26-28(25-39-44(40)48(43)41-20-10-9-19-38(41)46-39)27-21-23-29(24-22-27)45-36-17-7-5-13-32(36)33-14-6-8-18-37(33)45/h1-26H
InChIKeyCJLMLMKOCAOMRM-UHFFFAOYSA-N
XLogP10.73
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.67
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-[4-(16,22-dioxa-1-phosphaheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17,19,21(29),23,25,27-tridecaen-19-yl)phenyl]carbazole with MolForge

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Related Compounds

9-[4-(15,21-dioxa-6-thia-1-phosphaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22,24,26-dodecaen-18-yl)phenyl]carbazole
CID 144879448
9-[4-(20,26-dioxa-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21,23,25(33),27,29,31-pentadecaen-23-yl)phenyl]carbazole
CID 144878930
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-[11,17,23-tris(4-carbazol-9-ylphenyl)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]phenyl]carbazole
CID 89341841
9-[4-(11-phenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]carbazole
CID 123573713
9-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 118595106
9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159046230
10-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795507
9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole
CID 165005814
17-(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
CID 164795779
9-(17-carbazol-9-yl-11-phenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl)carbazole
CID 163701316

Frequently Asked Questions

What is the IUPAC name of 9-[4-(16,22-dioxa-1-phosphaheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17,19,21(29),23,25,27-tridecaen-19-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(16,22-dioxa-1-phosphaheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17,19,21(29),23,25,27-tridecaen-19-yl)phenyl]carbazole (CID 144879175) is 9-[4-(16,22-dioxa-1-phosphaheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17,19,21(29),23,25,27-tridecaen-19-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(16,22-dioxa-1-phosphaheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17,19,21(29),23,25,27-tridecaen-19-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(16,22-dioxa-1-phosphaheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17,19,21(29),23,25,27-tridecaen-19-yl)phenyl]carbazole is c1ccc2c(c1)Oc1cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc3c1P2c1c(c2ccccc2c2ccccc12)O3.
What is the InChIKey of 9-[4-(16,22-dioxa-1-phosphaheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17,19,21(29),23,25,27-tridecaen-19-yl)phenyl]carbazole?
The InChIKey is CJLMLMKOCAOMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26NO2P/c1-3-15-34-30(11-1)31-12-2-4-16-35(31)43-42(34)47-40-26-28(25-39-44(40)48(43)41-20-10-9-19-38(41)46-39)27-21-23-29(24-22-27)45-36-17-7-5-13-32(36)33-14-6-8-18-37(33)45/h1-26H.
What are the key properties of 9-[4-(16,22-dioxa-1-phosphaheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17,19,21(29),23,25,27-tridecaen-19-yl)phenyl]carbazole?
9-[4-(16,22-dioxa-1-phosphaheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17,19,21(29),23,25,27-tridecaen-19-yl)phenyl]carbazole has a molecular weight of 631.67 g/mol, XLogP of 10.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(16,22-dioxa-1-phosphaheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17,19,21(29),23,25,27-tridecaen-19-yl)phenyl]carbazole is sourced from PubChem (CID 144879175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).