16-(9H-fluoren-4-yl)-18-phenyl-4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-14,17,19,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene

C72H44N6 — CID 163388283

IUPAC16-(9H-fluoren-4-yl)-18-phenyl-4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-14,17,19,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
SMILESc1ccc(-c2nc(-c3cccc4c3-c3ccccc3C4)c3c(n2)nc2c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc5n6-c5ccccc5)ccc4c4ccccc4n23)cc1
InChIInChI=1S/C72H44N6/c1-4-17-44(18-5-1)70-73-68(57-28-16-20-50-39-49-19-10-11-25-53(49)67(50)57)69-71(74-70)75-72-61-43-45(31-35-54(61)55-26-12-15-30-63(55)78(69)72)47-33-37-65-59(41-47)60-42-48(34-38-66(60)77(65)52-23-8-3-9-24-52)46-32-36-64-58(40-46)56-27-13-14-29-62(56)76(64)51-21-6-2-7-22-51/h1-38,40-43H,39H2
InChIKeyQIMVZNBEOPGHRB-UHFFFAOYSA-N
MW993.19 g/mol
LogP18.02
Rot. Bonds6

About 16-(9H-fluoren-4-yl)-18-phenyl-4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-14,17,19,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene

16-(9H-fluoren-4-yl)-18-phenyl-4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-14,17,19,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene (PubChem CID 163388283) has the molecular formula C72H44N6 and a molecular weight of 993.19 g/mol. Its IUPAC name is 16-(9H-fluoren-4-yl)-18-phenyl-4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-14,17,19,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene.

Molecular Properties

Compound Name16-(9H-fluoren-4-yl)-18-phenyl-4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-14,17,19,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
PubChem CID163388283
Molecular FormulaC72H44N6
Molecular Weight993.19 g/mol
Exact Mass992.36
IUPAC Name16-(9H-fluoren-4-yl)-18-phenyl-4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-14,17,19,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
SMILESc1ccc(-c2nc(-c3cccc4c3-c3ccccc3C4)c3c(n2)nc2c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc5n6-c5ccccc5)ccc4c4ccccc4n23)cc1
InChIInChI=1S/C72H44N6/c1-4-17-44(18-5-1)70-73-68(57-28-16-20-50-39-49-19-10-11-25-53(49)67(50)57)69-71(74-70)75-72-61-43-45(31-35-54(61)55-26-12-15-30-63(55)78(69)72)47-33-37-65-59(41-47)60-42-48(34-38-66(60)77(65)52-23-8-3-9-24-52)46-32-36-64-58(40-46)56-27-13-14-29-62(56)76(64)51-21-6-2-7-22-51/h1-38,40-43H,39H2
InChIKeyQIMVZNBEOPGHRB-UHFFFAOYSA-N
XLogP18.02
TPSA52.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.19
LogP ≤ 518.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 16-(9H-fluoren-4-yl)-18-phenyl-4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-14,17,19,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene with MolForge

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Related Compounds

3-(9H-fluoren-4-yl)-9-[3-[4-[3-[3-(9H-fluoren-4-yl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162137186
3-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]phenyl]-9-phenylcarbazole
CID 154618882
3-(9H-fluoren-4-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 130230877
3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-4-yl]-9-phenylcarbazole
CID 158375746
3-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 154618893
2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)-5H-indeno[1,2-d]pyrimidine
CID 142551081
3-[9-[2-(9H-fluoren-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 126753267
12-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7H-indeno[1,2-a]carbazole
CID 169058434
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-phenyl-6-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)carbazol-3-yl]indolo[3,2-b]carbazole
CID 121287012
4-(9-phenylcarbazol-3-yl)-9H-fluoren-2-amine
CID 175863693
2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241600
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 171402410

Frequently Asked Questions

What is the IUPAC name of 16-(9H-fluoren-4-yl)-18-phenyl-4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-14,17,19,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene?
The IUPAC name of 16-(9H-fluoren-4-yl)-18-phenyl-4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-14,17,19,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene (CID 163388283) is 16-(9H-fluoren-4-yl)-18-phenyl-4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-14,17,19,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene.
What is the SMILES notation for 16-(9H-fluoren-4-yl)-18-phenyl-4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-14,17,19,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene?
The canonical SMILES for 16-(9H-fluoren-4-yl)-18-phenyl-4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-14,17,19,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene is c1ccc(-c2nc(-c3cccc4c3-c3ccccc3C4)c3c(n2)nc2c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc5n6-c5ccccc5)ccc4c4ccccc4n23)cc1.
What is the InChIKey of 16-(9H-fluoren-4-yl)-18-phenyl-4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-14,17,19,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene?
The InChIKey is QIMVZNBEOPGHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H44N6/c1-4-17-44(18-5-1)70-73-68(57-28-16-20-50-39-49-19-10-11-25-53(49)67(50)57)69-71(74-70)75-72-61-43-45(31-35-54(61)55-26-12-15-30-63(55)78(69)72)47-33-37-65-59(41-47)60-42-48(34-38-66(60)77(65)52-23-8-3-9-24-52)46-32-36-64-58(40-46)56-27-13-14-29-62(56)76(64)51-21-6-2-7-22-51/h1-38,40-43H,39H2.
What are the key properties of 16-(9H-fluoren-4-yl)-18-phenyl-4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-14,17,19,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene?
16-(9H-fluoren-4-yl)-18-phenyl-4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-14,17,19,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene has a molecular weight of 993.19 g/mol, XLogP of 18.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(9H-fluoren-4-yl)-18-phenyl-4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-14,17,19,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene is sourced from PubChem (CID 163388283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).