23-(4,6-diphenylpyrimidin-2-yl)-17-(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5(22),6(15),7,9,11,13,16,18,20-undecaene

C56H34N4 — CID 177279630

IUPAC23-(4,6-diphenylpyrimidin-2-yl)-17-(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5(22),6(15),7,9,11,13,16,18,20-undecaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4cccc5c6c7ccccc7ccc6c6c(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc3c6c54)n2)cc1
InChIInChI=1S/C56H34N4/c1-4-16-36(17-5-1)46-34-47(37-18-6-2-7-19-37)58-56(57-46)60-50-26-14-24-43-52-40-22-11-10-15-35(40)27-29-44(52)53-41(30-32-51(60)55(53)54(43)50)38-28-31-49-45(33-38)42-23-12-13-25-48(42)59(49)39-20-8-3-9-21-39/h1-34H
InChIKeyOAQWRZKSSJCEMM-UHFFFAOYSA-N
MW762.92 g/mol
LogP14.57
Rot. Bonds5

About 23-(4,6-diphenylpyrimidin-2-yl)-17-(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5(22),6(15),7,9,11,13,16,18,20-undecaene

23-(4,6-diphenylpyrimidin-2-yl)-17-(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5(22),6(15),7,9,11,13,16,18,20-undecaene (PubChem CID 177279630) has the molecular formula C56H34N4 and a molecular weight of 762.92 g/mol. Its IUPAC name is 23-(4,6-diphenylpyrimidin-2-yl)-17-(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5(22),6(15),7,9,11,13,16,18,20-undecaene.

Molecular Properties

Compound Name23-(4,6-diphenylpyrimidin-2-yl)-17-(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5(22),6(15),7,9,11,13,16,18,20-undecaene
PubChem CID177279630
Molecular FormulaC56H34N4
Molecular Weight762.92 g/mol
Exact Mass762.28
IUPAC Name23-(4,6-diphenylpyrimidin-2-yl)-17-(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5(22),6(15),7,9,11,13,16,18,20-undecaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4cccc5c6c7ccccc7ccc6c6c(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc3c6c54)n2)cc1
InChIInChI=1S/C56H34N4/c1-4-16-36(17-5-1)46-34-47(37-18-6-2-7-19-37)58-56(57-46)60-50-26-14-24-43-52-40-22-11-10-15-35(40)27-29-44(52)53-41(30-32-51(60)55(53)54(43)50)38-28-31-49-45(33-38)42-23-12-13-25-48(42)59(49)39-20-8-3-9-21-39/h1-34H
InChIKeyOAQWRZKSSJCEMM-UHFFFAOYSA-N
XLogP14.57
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.92
LogP ≤ 514.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 23-(4,6-diphenylpyrimidin-2-yl)-17-(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5(22),6(15),7,9,11,13,16,18,20-undecaene with MolForge

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Related Compounds

17-(9-phenylcarbazol-3-yl)-23-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5(22),6(15),7,9,11,13,16,18,20-undecaene
CID 171044115
15-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4,6-diphenylpyrimidin-2-yl)-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 157104357
9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-9-phenylcarbazole
CID 157253653
9,14-bis(4,6-diphenylpyrimidin-2-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 70851555
12-phenyl-7-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 121246518
4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 157250623
2-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-7,9-diphenylcarbazole
CID 90182884
9-(4-carbazol-9-ylphenyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140937291
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 158138406
2-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazole
CID 121444219
9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 160629026
3-[4-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 90182891

Frequently Asked Questions

What is the IUPAC name of 23-(4,6-diphenylpyrimidin-2-yl)-17-(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5(22),6(15),7,9,11,13,16,18,20-undecaene?
The IUPAC name of 23-(4,6-diphenylpyrimidin-2-yl)-17-(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5(22),6(15),7,9,11,13,16,18,20-undecaene (CID 177279630) is 23-(4,6-diphenylpyrimidin-2-yl)-17-(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5(22),6(15),7,9,11,13,16,18,20-undecaene.
What is the SMILES notation for 23-(4,6-diphenylpyrimidin-2-yl)-17-(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5(22),6(15),7,9,11,13,16,18,20-undecaene?
The canonical SMILES for 23-(4,6-diphenylpyrimidin-2-yl)-17-(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5(22),6(15),7,9,11,13,16,18,20-undecaene is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cccc5c6c7ccccc7ccc6c6c(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc3c6c54)n2)cc1.
What is the InChIKey of 23-(4,6-diphenylpyrimidin-2-yl)-17-(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5(22),6(15),7,9,11,13,16,18,20-undecaene?
The InChIKey is OAQWRZKSSJCEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4/c1-4-16-36(17-5-1)46-34-47(37-18-6-2-7-19-37)58-56(57-46)60-50-26-14-24-43-52-40-22-11-10-15-35(40)27-29-44(52)53-41(30-32-51(60)55(53)54(43)50)38-28-31-49-45(33-38)42-23-12-13-25-48(42)59(49)39-20-8-3-9-21-39/h1-34H.
What are the key properties of 23-(4,6-diphenylpyrimidin-2-yl)-17-(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5(22),6(15),7,9,11,13,16,18,20-undecaene?
23-(4,6-diphenylpyrimidin-2-yl)-17-(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5(22),6(15),7,9,11,13,16,18,20-undecaene has a molecular weight of 762.92 g/mol, XLogP of 14.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(4,6-diphenylpyrimidin-2-yl)-17-(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5(22),6(15),7,9,11,13,16,18,20-undecaene is sourced from PubChem (CID 177279630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).