14-phenyl-11-[3-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)carbazol-9-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene

C68H41N3S — CID 138512997

IUPAC14-phenyl-11-[3-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)carbazol-9-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
SMILESc1ccc(-c2nc3ccccc3c3c2cc(-n2c4ccccc4c4cc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6N(c6ccccc6)c6ccccc65)ccc42)c2sc4ccccc4c23)cc1
InChIInChI=1S/C68H41N3S/c1-3-19-42(20-4-1)66-52-41-62(67-65(50-26-10-18-34-63(50)72-67)64(52)49-25-8-14-30-57(49)69-66)71-58-31-15-9-24-48(58)51-39-43(36-38-59(51)71)44-35-37-47-46-23-7-11-27-53(46)68(56(47)40-44)54-28-12-16-32-60(54)70(45-21-5-2-6-22-45)61-33-17-13-29-55(61)68/h1-41H
InChIKeyVPLDQKSLPGGINF-UHFFFAOYSA-N
MW932.16 g/mol
LogP18.33
Rot. Bonds4

About 14-phenyl-11-[3-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)carbazol-9-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene

14-phenyl-11-[3-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)carbazol-9-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene (PubChem CID 138512997) has the molecular formula C68H41N3S and a molecular weight of 932.16 g/mol. Its IUPAC name is 14-phenyl-11-[3-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)carbazol-9-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene.

Molecular Properties

Compound Name14-phenyl-11-[3-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)carbazol-9-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
PubChem CID138512997
Molecular FormulaC68H41N3S
Molecular Weight932.16 g/mol
Exact Mass931.30
IUPAC Name14-phenyl-11-[3-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)carbazol-9-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
SMILESc1ccc(-c2nc3ccccc3c3c2cc(-n2c4ccccc4c4cc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6N(c6ccccc6)c6ccccc65)ccc42)c2sc4ccccc4c23)cc1
InChIInChI=1S/C68H41N3S/c1-3-19-42(20-4-1)66-52-41-62(67-65(50-26-10-18-34-63(50)72-67)64(52)49-25-8-14-30-57(49)69-66)71-58-31-15-9-24-48(58)51-39-43(36-38-59(51)71)44-35-37-47-46-23-7-11-27-53(46)68(56(47)40-44)54-28-12-16-32-60(54)70(45-21-5-2-6-22-45)61-33-17-13-29-55(61)68/h1-41H
InChIKeyVPLDQKSLPGGINF-UHFFFAOYSA-N
XLogP18.33
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.16
LogP ≤ 518.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

14-phenyl-11-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513309
11-[3-(9-naphthalen-1-ylcarbazol-3-yl)carbazol-9-yl]-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513304
11-(3-dibenzothiophen-4-ylcarbazol-9-yl)-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513319
14-phenyl-11-(3-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513295
11-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(3-dibenzofuran-4-ylcarbazol-9-yl)-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 161203938
11-[2-(9,9-dimethylacridin-10-yl)phenyl]-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[3-(9,9-dimethylacridin-10-yl)phenyl]-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[4-(9,9-dimethylacridin-10-yl)phenyl]-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-(9,9-dimethylacridin-10-yl)-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 159542711
11-(9,9-dimethylfluoren-2-yl)-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513495
9,14-diphenyl-18-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene
CID 166584451
10-phenyl-3'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 163947918
10-(4,6-diphenylpyrimidin-2-yl)-2'-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 118231882
5'-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 155160175
N-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118086604

Frequently Asked Questions

What is the IUPAC name of 14-phenyl-11-[3-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)carbazol-9-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?
The IUPAC name of 14-phenyl-11-[3-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)carbazol-9-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene (CID 138512997) is 14-phenyl-11-[3-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)carbazol-9-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene.
What is the SMILES notation for 14-phenyl-11-[3-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)carbazol-9-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?
The canonical SMILES for 14-phenyl-11-[3-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)carbazol-9-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene is c1ccc(-c2nc3ccccc3c3c2cc(-n2c4ccccc4c4cc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6N(c6ccccc6)c6ccccc65)ccc42)c2sc4ccccc4c23)cc1.
What is the InChIKey of 14-phenyl-11-[3-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)carbazol-9-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?
The InChIKey is VPLDQKSLPGGINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H41N3S/c1-3-19-42(20-4-1)66-52-41-62(67-65(50-26-10-18-34-63(50)72-67)64(52)49-25-8-14-30-57(49)69-66)71-58-31-15-9-24-48(58)51-39-43(36-38-59(51)71)44-35-37-47-46-23-7-11-27-53(46)68(56(47)40-44)54-28-12-16-32-60(54)70(45-21-5-2-6-22-45)61-33-17-13-29-55(61)68/h1-41H.
What are the key properties of 14-phenyl-11-[3-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)carbazol-9-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?
14-phenyl-11-[3-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)carbazol-9-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene has a molecular weight of 932.16 g/mol, XLogP of 18.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-phenyl-11-[3-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)carbazol-9-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene is sourced from PubChem (CID 138512997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).