14-(3-carbazol-9-ylphenyl)-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]

C51H31N3S2 — CID 138577445

IUPAC14-(3-carbazol-9-ylphenyl)-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)N(c2cccc(-n3c5ccccc5c5ccccc53)c2)c2ccccc2C42c3ccsc3-c3sccc32)cc1
InChIInChI=1S/C51H31N3S2/c1-2-13-32(14-3-1)52-45-23-10-6-19-37(45)38-30-42-48(31-47(38)52)54(46-24-11-7-20-39(46)51(42)40-25-27-55-49(40)50-41(51)26-28-56-50)34-16-12-15-33(29-34)53-43-21-8-4-17-35(43)36-18-5-9-22-44(36)53/h1-31H
InChIKeyDSBIPUJXGVXDJZ-UHFFFAOYSA-N
MW749.96 g/mol
LogP14.15
Rot. Bonds3

About 14-(3-carbazol-9-ylphenyl)-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]

14-(3-carbazol-9-ylphenyl)-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene] (PubChem CID 138577445) has the molecular formula C51H31N3S2 and a molecular weight of 749.96 g/mol. Its IUPAC name is 14-(3-carbazol-9-ylphenyl)-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene].

Molecular Properties

Compound Name14-(3-carbazol-9-ylphenyl)-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]
PubChem CID138577445
Molecular FormulaC51H31N3S2
Molecular Weight749.96 g/mol
Exact Mass749.20
IUPAC Name14-(3-carbazol-9-ylphenyl)-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)N(c2cccc(-n3c5ccccc5c5ccccc53)c2)c2ccccc2C42c3ccsc3-c3sccc32)cc1
InChIInChI=1S/C51H31N3S2/c1-2-13-32(14-3-1)52-45-23-10-6-19-37(45)38-30-42-48(31-47(38)52)54(46-24-11-7-20-39(46)51(42)40-25-27-55-49(40)50-41(51)26-28-56-50)34-16-12-15-33(29-34)53-43-21-8-4-17-35(43)36-18-5-9-22-44(36)53/h1-31H
InChIKeyDSBIPUJXGVXDJZ-UHFFFAOYSA-N
XLogP14.15
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.96
LogP ≤ 514.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-(3-carbazol-9-ylphenyl)-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene] with MolForge

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Related Compounds

10-[3-[21-[3-methyl-5-(3-phenylphenyl)phenyl]spiro[10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,7'-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]-10-yl]phenyl]phenoxazine
CID 138577607
10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]
CID 177278031
10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-thioxanthene]
CID 177278342
14-[4-(9,9-dimethylacridin-10-yl)phenyl]-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]
CID 138577506
10,14-diphenyl-21,21-bis(3-pyrazol-1-ylphenyl)-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 163497985
3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 122367921
1-[4-(10'-phenylspiro[14-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine]-10-yl)phenyl]ethanamine
CID 145314004
7-[4-(10',19-diphenylspiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-acridine]-11-yl)phenyl]-10'-phenyl-11-[3-(4-phenylphenyl)phenyl]-19-[4-(4-phenylphenyl)phenyl]spiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene-15,9'-acridine]
CID 139524634
10'-phenyl-10-(9-phenylcarbazol-3-yl)spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]
CID 134351848
29-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-22,22,33,33-tetramethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene
CID 140926861
9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-2-yl)acridine
CID 153463100
3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole
CID 71127530

Frequently Asked Questions

What is the IUPAC name of 14-(3-carbazol-9-ylphenyl)-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]?
The IUPAC name of 14-(3-carbazol-9-ylphenyl)-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene] (CID 138577445) is 14-(3-carbazol-9-ylphenyl)-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene].
What is the SMILES notation for 14-(3-carbazol-9-ylphenyl)-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]?
The canonical SMILES for 14-(3-carbazol-9-ylphenyl)-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene] is c1ccc(-n2c3ccccc3c3cc4c(cc32)N(c2cccc(-n3c5ccccc5c5ccccc53)c2)c2ccccc2C42c3ccsc3-c3sccc32)cc1.
What is the InChIKey of 14-(3-carbazol-9-ylphenyl)-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]?
The InChIKey is DSBIPUJXGVXDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3S2/c1-2-13-32(14-3-1)52-45-23-10-6-19-37(45)38-30-42-48(31-47(38)52)54(46-24-11-7-20-39(46)51(42)40-25-27-55-49(40)50-41(51)26-28-56-50)34-16-12-15-33(29-34)53-43-21-8-4-17-35(43)36-18-5-9-22-44(36)53/h1-31H.
What are the key properties of 14-(3-carbazol-9-ylphenyl)-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]?
14-(3-carbazol-9-ylphenyl)-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene] has a molecular weight of 749.96 g/mol, XLogP of 14.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(3-carbazol-9-ylphenyl)-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene] is sourced from PubChem (CID 138577445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).