1-(1',4'-diphenyl-9,9'-spirobi[thioxanthene]-1-yl)-9-phenylcarbazole

C55H35NS2 — CID 118698639

IUPAC1-(1',4'-diphenyl-9,9'-spirobi[thioxanthene]-1-yl)-9-phenylcarbazole
SMILESc1ccc(-c2ccc(-c3ccccc3)c3c2Sc2ccccc2C32c3ccccc3Sc3cccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c32)cc1
InChIInChI=1S/C55H35NS2/c1-4-18-36(19-5-1)39-34-35-40(37-20-6-2-7-21-37)54-52(39)55(46-29-12-15-32-49(46)58-54)45-28-11-14-31-48(45)57-50-33-17-25-42(51(50)55)44-27-16-26-43-41-24-10-13-30-47(41)56(53(43)44)38-22-8-3-9-23-38/h1-35H
InChIKeyDRUAWYPDBIPNIW-UHFFFAOYSA-N
MW774.03 g/mol
LogP15.10
Rot. Bonds4

About 1-(1',4'-diphenyl-9,9'-spirobi[thioxanthene]-1-yl)-9-phenylcarbazole

1-(1',4'-diphenyl-9,9'-spirobi[thioxanthene]-1-yl)-9-phenylcarbazole (PubChem CID 118698639) has the molecular formula C55H35NS2 and a molecular weight of 774.03 g/mol. Its IUPAC name is 1-(1',4'-diphenyl-9,9'-spirobi[thioxanthene]-1-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name1-(1',4'-diphenyl-9,9'-spirobi[thioxanthene]-1-yl)-9-phenylcarbazole
PubChem CID118698639
Molecular FormulaC55H35NS2
Molecular Weight774.03 g/mol
Exact Mass773.22
IUPAC Name1-(1',4'-diphenyl-9,9'-spirobi[thioxanthene]-1-yl)-9-phenylcarbazole
SMILESc1ccc(-c2ccc(-c3ccccc3)c3c2Sc2ccccc2C32c3ccccc3Sc3cccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c32)cc1
InChIInChI=1S/C55H35NS2/c1-4-18-36(19-5-1)39-34-35-40(37-20-6-2-7-21-37)54-52(39)55(46-29-12-15-32-49(46)58-54)45-28-11-14-31-48(45)57-50-33-17-25-42(51(50)55)44-27-16-26-43-41-24-10-13-30-47(41)56(53(43)44)38-22-8-3-9-23-38/h1-35H
InChIKeyDRUAWYPDBIPNIW-UHFFFAOYSA-N
XLogP15.10
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.03
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-1-(6-phenyl-9,9'-spirobi[thioxanthene]-1-yl)carbazole
CID 118698352
9-phenyl-1-(8-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole
CID 118698347
9-phenyl-1-(5-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-1-(6-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-1-(7-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-1-(8-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole
CID 161398327
9-phenyl-3-(1-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole
CID 118698293
9-phenyl-1-(7'-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole
CID 118698641
1-(7',8'-diphenyl-9,9'-spirobi[xanthene]-1'-yl)-9-phenylcarbazole
CID 118698619
9-phenyl-3-(5'-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole
CID 118698364
9-phenyl-1-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-1-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole;9-phenyl-1-(3'-pyridin-2-yl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-1-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-1-(6-pyridin-2-yl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-1-(6-pyridin-2-yl-9,9'-spirobi[thioxanthene]-4-yl)carbazole;9-phenyl-2-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-2-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole
CID 159692773
9-phenyl-2-(4-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-3-(1-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(2-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(3-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole
CID 158222915
9-phenyl-4-(5-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole
CID 118698376
9-phenyl-1-[4-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]carbazole
CID 170046255
9-phenyl-4-(2-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-4-(3-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-4-(4-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-4-(8'-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole
CID 159259452

Frequently Asked Questions

What is the IUPAC name of 1-(1',4'-diphenyl-9,9'-spirobi[thioxanthene]-1-yl)-9-phenylcarbazole?
The IUPAC name of 1-(1',4'-diphenyl-9,9'-spirobi[thioxanthene]-1-yl)-9-phenylcarbazole (CID 118698639) is 1-(1',4'-diphenyl-9,9'-spirobi[thioxanthene]-1-yl)-9-phenylcarbazole.
What is the SMILES notation for 1-(1',4'-diphenyl-9,9'-spirobi[thioxanthene]-1-yl)-9-phenylcarbazole?
The canonical SMILES for 1-(1',4'-diphenyl-9,9'-spirobi[thioxanthene]-1-yl)-9-phenylcarbazole is c1ccc(-c2ccc(-c3ccccc3)c3c2Sc2ccccc2C32c3ccccc3Sc3cccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c32)cc1.
What is the InChIKey of 1-(1',4'-diphenyl-9,9'-spirobi[thioxanthene]-1-yl)-9-phenylcarbazole?
The InChIKey is DRUAWYPDBIPNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NS2/c1-4-18-36(19-5-1)39-34-35-40(37-20-6-2-7-21-37)54-52(39)55(46-29-12-15-32-49(46)58-54)45-28-11-14-31-48(45)57-50-33-17-25-42(51(50)55)44-27-16-26-43-41-24-10-13-30-47(41)56(53(43)44)38-22-8-3-9-23-38/h1-35H.
What are the key properties of 1-(1',4'-diphenyl-9,9'-spirobi[thioxanthene]-1-yl)-9-phenylcarbazole?
1-(1',4'-diphenyl-9,9'-spirobi[thioxanthene]-1-yl)-9-phenylcarbazole has a molecular weight of 774.03 g/mol, XLogP of 15.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1',4'-diphenyl-9,9'-spirobi[thioxanthene]-1-yl)-9-phenylcarbazole is sourced from PubChem (CID 118698639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).