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

C48H29N2O3P — CID 118219952

IUPAC18-(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
SMILESO=P12c3ccccc3Oc3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(c31)Oc1c2ccc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C48H29N2O3P/c51-54-44-21-11-10-20-41(44)52-42-28-31(30-22-24-33(25-23-30)49-38-17-7-4-14-34(38)35-15-5-8-18-39(35)49)29-43(48(42)54)53-47-45(54)27-26-37-36-16-6-9-19-40(36)50(46(37)47)32-12-2-1-3-13-32/h1-29H
InChIKeyLSJIEUOKMZWSAA-UHFFFAOYSA-N
MW712.75 g/mol
LogP11.40
Rot. Bonds3

About 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

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 (PubChem CID 118219952) has the molecular formula C48H29N2O3P and a molecular weight of 712.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name18-(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
PubChem CID118219952
Molecular FormulaC48H29N2O3P
Molecular Weight712.75 g/mol
Exact Mass712.19
IUPAC Name18-(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
SMILESO=P12c3ccccc3Oc3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(c31)Oc1c2ccc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C48H29N2O3P/c51-54-44-21-11-10-20-41(44)52-42-28-31(30-22-24-33(25-23-30)49-38-17-7-4-14-34(38)35-15-5-8-18-39(35)49)29-43(48(42)54)53-47-45(54)27-26-37-36-16-6-9-19-40(36)50(46(37)47)32-12-2-1-3-13-32/h1-29H
InChIKeyLSJIEUOKMZWSAA-UHFFFAOYSA-N
XLogP11.40
TPSA45.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.75
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
10-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide
CID 153291842
17-[4-(3,5-diphenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(15),2,4,6,8,10,12,16(24),18,20,22,25-dodecaene
CID 126589976
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
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
12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide
CID 121310510
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991
5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]phosphindolo[3,2-a]carbazole 5-oxide
CID 121310884

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=P12c3ccccc3Oc3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(c31)Oc1c2ccc2c3ccccc3n(-c3ccccc3)c12.
What is the InChIKey of 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?
The InChIKey is LSJIEUOKMZWSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N2O3P/c51-54-44-21-11-10-20-41(44)52-42-28-31(30-22-24-33(25-23-30)49-38-17-7-4-14-34(38)35-15-5-8-18-39(35)49)29-43(48(42)54)53-47-45(54)27-26-37-36-16-6-9-19-40(36)50(46(37)47)32-12-2-1-3-13-32/h1-29H.
What are the key properties of 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?
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 has a molecular weight of 712.75 g/mol, XLogP of 11.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118219952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).