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

C42H24NO3PS — CID 118219930

IUPAC18-(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
SMILESO=P12c3ccccc3Oc3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(c31)Oc1c2ccc2c1sc1ccccc12
InChIInChI=1S/C42H24NO3PS/c44-47-37-15-7-6-14-34(37)45-35-23-26(24-36(41(35)47)46-40-38(47)22-21-31-30-11-3-8-16-39(30)48-42(31)40)25-17-19-27(20-18-25)43-32-12-4-1-9-28(32)29-10-2-5-13-33(29)43/h1-24H
InChIKeyHOPZPUCMHFPYNI-UHFFFAOYSA-N
MW653.70 g/mol
LogP10.67
Rot. Bonds2

About 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

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 (PubChem CID 118219930) has the molecular formula C42H24NO3PS and a molecular weight of 653.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name18-(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
PubChem CID118219930
Molecular FormulaC42H24NO3PS
Molecular Weight653.70 g/mol
Exact Mass653.12
IUPAC Name18-(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
SMILESO=P12c3ccccc3Oc3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(c31)Oc1c2ccc2c1sc1ccccc12
InChIInChI=1S/C42H24NO3PS/c44-47-37-15-7-6-14-34(37)45-35-23-26(24-36(41(35)47)46-40-38(47)22-21-31-30-11-3-8-16-39(30)48-42(31)40)25-17-19-27(20-18-25)43-32-12-4-1-9-28(32)29-10-2-5-13-33(29)43/h1-24H
InChIKeyHOPZPUCMHFPYNI-UHFFFAOYSA-N
XLogP10.67
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.70
LogP ≤ 510.67
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)-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 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

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
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
5,17-bis(3-dibenzothiophen-4-ylphenyl)-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide
CID 118219727
10-[4-(3-dibenzothiophen-4-ylcarbazol-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 164795662
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-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide
CID 153291842
9-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-yl)carbazole
CID 146664194
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
12-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 90050986
2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole
CID 88878120
9-(1-sulfanylidene-15,21-dioxa-5-thia-1λ5-phosphaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2(14),3,6,8,10,12,16,18,20(28),22,24,26-dodecaen-18-yl)carbazole
CID 118220014
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=P12c3ccccc3Oc3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(c31)Oc1c2ccc2c1sc1ccccc12.
What is the InChIKey of 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?
The InChIKey is HOPZPUCMHFPYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24NO3PS/c44-47-37-15-7-6-14-34(37)45-35-23-26(24-36(41(35)47)46-40-38(47)22-21-31-30-11-3-8-16-39(30)48-42(31)40)25-17-19-27(20-18-25)43-32-12-4-1-9-28(32)29-10-2-5-13-33(29)43/h1-24H.
What are the key properties of 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?
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 has a molecular weight of 653.70 g/mol, XLogP of 10.67, 2 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)-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 is sourced from PubChem (CID 118219930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).