20,20-dimethyl-11-[3-[9-(4-tritylphenyl)carbazol-3-yl]carbazol-9-yl]-10,12-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene

C70H48N4 — CID 163979273

IUPAC20,20-dimethyl-11-[3-[9-(4-tritylphenyl)carbazol-3-yl]carbazol-9-yl]-10,12-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene
SMILESCC1(C)c2ccccc2-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(C(c6ccccc6)(c6ccccc6)c6ccccc6)cc5)ccc43)nc3cc4ccccc4c1c23
InChIInChI=1S/C70H48N4/c1-69(2)59-31-17-14-30-56(59)67-65-60(44-47-20-12-13-27-53(47)66(65)69)71-68(72-67)74-62-33-19-16-29-55(62)58-43-46(35-41-64(58)74)45-34-40-63-57(42-45)54-28-15-18-32-61(54)73(63)52-38-36-51(37-39-52)70(48-21-6-3-7-22-48,49-23-8-4-9-24-49)50-25-10-5-11-26-50/h3-44H,1-2H3
InChIKeySWYIHWFARJKHIO-UHFFFAOYSA-N
MW945.18 g/mol
LogP17.33
Rot. Bonds7

About 20,20-dimethyl-11-[3-[9-(4-tritylphenyl)carbazol-3-yl]carbazol-9-yl]-10,12-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene

20,20-dimethyl-11-[3-[9-(4-tritylphenyl)carbazol-3-yl]carbazol-9-yl]-10,12-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene (PubChem CID 163979273) has the molecular formula C70H48N4 and a molecular weight of 945.18 g/mol. Its IUPAC name is 20,20-dimethyl-11-[3-[9-(4-tritylphenyl)carbazol-3-yl]carbazol-9-yl]-10,12-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene.

Molecular Properties

Compound Name20,20-dimethyl-11-[3-[9-(4-tritylphenyl)carbazol-3-yl]carbazol-9-yl]-10,12-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene
PubChem CID163979273
Molecular FormulaC70H48N4
Molecular Weight945.18 g/mol
Exact Mass944.39
IUPAC Name20,20-dimethyl-11-[3-[9-(4-tritylphenyl)carbazol-3-yl]carbazol-9-yl]-10,12-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene
SMILESCC1(C)c2ccccc2-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(C(c6ccccc6)(c6ccccc6)c6ccccc6)cc5)ccc43)nc3cc4ccccc4c1c23
InChIInChI=1S/C70H48N4/c1-69(2)59-31-17-14-30-56(59)67-65-60(44-47-20-12-13-27-53(47)66(65)69)71-68(72-67)74-62-33-19-16-29-55(62)58-43-46(35-41-64(58)74)45-34-40-63-57(42-45)54-28-15-18-32-61(54)73(63)52-38-36-51(37-39-52)70(48-21-6-3-7-22-48,49-23-8-4-9-24-49)50-25-10-5-11-26-50/h3-44H,1-2H3
InChIKeySWYIHWFARJKHIO-UHFFFAOYSA-N
XLogP17.33
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.18
LogP ≤ 517.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 20,20-dimethyl-11-[3-[9-(4-tritylphenyl)carbazol-3-yl]carbazol-9-yl]-10,12-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene with MolForge

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Related Compounds

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CID 90270374
13-[5,5-dimethyl-4-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
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5-[5,5-dimethyl-4-(9-phenylcarbazol-2-yl)indeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole
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CID 118100275
7,7-dimethyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
CID 118517262
15,15-dimethyl-7-(9-phenylcarbazol-3-yl)-11-(4-phenylquinazolin-2-yl)-11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaene
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2-(3-carbazol-9-ylphenyl)-5,5-dimethyl-4-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidine
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2-[9-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole
CID 130325936

Frequently Asked Questions

What is the IUPAC name of 20,20-dimethyl-11-[3-[9-(4-tritylphenyl)carbazol-3-yl]carbazol-9-yl]-10,12-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene?
The IUPAC name of 20,20-dimethyl-11-[3-[9-(4-tritylphenyl)carbazol-3-yl]carbazol-9-yl]-10,12-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene (CID 163979273) is 20,20-dimethyl-11-[3-[9-(4-tritylphenyl)carbazol-3-yl]carbazol-9-yl]-10,12-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene.
What is the SMILES notation for 20,20-dimethyl-11-[3-[9-(4-tritylphenyl)carbazol-3-yl]carbazol-9-yl]-10,12-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene?
The canonical SMILES for 20,20-dimethyl-11-[3-[9-(4-tritylphenyl)carbazol-3-yl]carbazol-9-yl]-10,12-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene is CC1(C)c2ccccc2-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(C(c6ccccc6)(c6ccccc6)c6ccccc6)cc5)ccc43)nc3cc4ccccc4c1c23.
What is the InChIKey of 20,20-dimethyl-11-[3-[9-(4-tritylphenyl)carbazol-3-yl]carbazol-9-yl]-10,12-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene?
The InChIKey is SWYIHWFARJKHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N4/c1-69(2)59-31-17-14-30-56(59)67-65-60(44-47-20-12-13-27-53(47)66(65)69)71-68(72-67)74-62-33-19-16-29-55(62)58-43-46(35-41-64(58)74)45-34-40-63-57(42-45)54-28-15-18-32-61(54)73(63)52-38-36-51(37-39-52)70(48-21-6-3-7-22-48,49-23-8-4-9-24-49)50-25-10-5-11-26-50/h3-44H,1-2H3.
What are the key properties of 20,20-dimethyl-11-[3-[9-(4-tritylphenyl)carbazol-3-yl]carbazol-9-yl]-10,12-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene?
20,20-dimethyl-11-[3-[9-(4-tritylphenyl)carbazol-3-yl]carbazol-9-yl]-10,12-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene has a molecular weight of 945.18 g/mol, XLogP of 17.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 20,20-dimethyl-11-[3-[9-(4-tritylphenyl)carbazol-3-yl]carbazol-9-yl]-10,12-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene is sourced from PubChem (CID 163979273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).