20-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C56H35FN2 — CID 90310204

IUPAC20-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESFc1ccc(-n2c3ccccc3c3cc4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c5ccccc5c4cc32)cc1
InChIInChI=1S/C56H35FN2/c57-42-24-26-43(27-25-42)58-53-21-11-10-20-48(53)52-34-41-33-49(45-17-7-8-18-46(45)50(41)35-56(52)58)38-23-28-55-51(32-38)47-19-9-12-22-54(47)59(55)44-30-39(36-13-3-1-4-14-36)29-40(31-44)37-15-5-2-6-16-37/h1-35H
InChIKeyHFSGSSIOIQJFNW-UHFFFAOYSA-N
MW754.91 g/mol
LogP15.33
Rot. Bonds5

About 20-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

20-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 90310204) has the molecular formula C56H35FN2 and a molecular weight of 754.91 g/mol. Its IUPAC name is 20-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

Compound Name20-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
PubChem CID90310204
Molecular FormulaC56H35FN2
Molecular Weight754.91 g/mol
Exact Mass754.28
IUPAC Name20-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESFc1ccc(-n2c3ccccc3c3cc4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c5ccccc5c4cc32)cc1
InChIInChI=1S/C56H35FN2/c57-42-24-26-43(27-25-42)58-53-21-11-10-20-48(53)52-34-41-33-49(45-17-7-8-18-46(45)50(41)35-56(52)58)38-23-28-55-51(32-38)47-19-9-12-22-54(47)59(55)44-30-39(36-13-3-1-4-14-36)29-40(31-44)37-15-5-2-6-16-37/h1-35H
InChIKeyHFSGSSIOIQJFNW-UHFFFAOYSA-N
XLogP15.33
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.91
LogP ≤ 515.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 20-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene with MolForge

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Related Compounds

15-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-14-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 90336953
10-phenyl-20-(9-phenylcarbazol-2-yl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 90310187
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161445204
3-[3-[2-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764075
9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole;9-[3-(4-carbazol-9-ylphenyl)-5-(4-phenylphenyl)phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159689143
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210
3-phenyl-9-[3-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492182
3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084408
3-carbazol-9-yl-9-[3-phenyl-5-[3-[9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]phenyl]phenyl]carbazole
CID 138601418
3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158535060
3-[6-[3-phenanthren-9-yl-5-(2-phenylcarbazol-9-yl)phenyl]-4-phenyl-2-pyridinyl]-9-phenylcarbazole
CID 139500873
5,7-bis(4-phenylphenyl)indolo[2,3-b]carbazole;5,7-diphenylindolo[2,3-b]carbazole;5-(3,5-diphenylphenyl)-7-phenylindolo[2,3-b]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 159483264

Frequently Asked Questions

What is the IUPAC name of 20-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The IUPAC name of 20-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 90310204) is 20-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.
What is the SMILES notation for 20-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The canonical SMILES for 20-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is Fc1ccc(-n2c3ccccc3c3cc4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c5ccccc5c4cc32)cc1.
What is the InChIKey of 20-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The InChIKey is HFSGSSIOIQJFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35FN2/c57-42-24-26-43(27-25-42)58-53-21-11-10-20-48(53)52-34-41-33-49(45-17-7-8-18-46(45)50(41)35-56(52)58)38-23-28-55-51(32-38)47-19-9-12-22-54(47)59(55)44-30-39(36-13-3-1-4-14-36)29-40(31-44)37-15-5-2-6-16-37/h1-35H.
What are the key properties of 20-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
20-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 754.91 g/mol, XLogP of 15.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 20-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 90310204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).