20-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C54H34N4 — CID 90310224

IUPAC20-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cc6cc7c8ccccc8n(-c8ccccc8)c7cc6c6ccccc56)ccc43)n2)cc1
InChIInChI=1S/C54H34N4/c1-4-16-35(17-5-1)48-34-49(36-18-6-2-7-19-36)56-54(55-48)58-51-27-15-13-24-42(51)46-30-37(28-29-52(46)58)44-31-38-32-47-43-25-12-14-26-50(43)57(39-20-8-3-9-21-39)53(47)33-45(38)41-23-11-10-22-40(41)44/h1-34H
InChIKeyUYOCDKGMRRBINY-UHFFFAOYSA-N
MW738.89 g/mol
LogP13.98
Rot. Bonds5

About 20-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-10-phenyl-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-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-10-phenyl-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 90310224) has the molecular formula C54H34N4 and a molecular weight of 738.89 g/mol. Its IUPAC name is 20-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-10-phenyl-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-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-10-phenyl-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 CID90310224
Molecular FormulaC54H34N4
Molecular Weight738.89 g/mol
Exact Mass738.28
IUPAC Name20-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cc6cc7c8ccccc8n(-c8ccccc8)c7cc6c6ccccc56)ccc43)n2)cc1
InChIInChI=1S/C54H34N4/c1-4-16-35(17-5-1)48-34-49(36-18-6-2-7-19-36)56-54(55-48)58-51-27-15-13-24-42(51)46-30-37(28-29-52(46)58)44-31-38-32-47-43-25-12-14-26-50(43)57(39-20-8-3-9-21-39)53(47)33-45(38)41-23-11-10-22-40(41)44/h1-34H
InChIKeyUYOCDKGMRRBINY-UHFFFAOYSA-N
XLogP13.98
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.89
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 20-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-10-phenyl-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

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
2-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-7,9-diphenylcarbazole
CID 90182884
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511118
2-[6-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole
CID 118503236
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
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
3-[4-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 90182891
3-(4,6-diphenylpyrimidin-2-yl)-9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 90348761
8-[8-[5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzothiophen-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 118503299
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
7-[4-(4-phenylphenyl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-b]carbazole
CID 121385422
2-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 58511315

Frequently Asked Questions

What is the IUPAC name of 20-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-10-phenyl-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-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-10-phenyl-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 90310224) is 20-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-10-phenyl-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-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-10-phenyl-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-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-10-phenyl-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 c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cc6cc7c8ccccc8n(-c8ccccc8)c7cc6c6ccccc56)ccc43)n2)cc1.
What is the InChIKey of 20-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-10-phenyl-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 UYOCDKGMRRBINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4/c1-4-16-35(17-5-1)48-34-49(36-18-6-2-7-19-36)56-54(55-48)58-51-27-15-13-24-42(51)46-30-37(28-29-52(46)58)44-31-38-32-47-43-25-12-14-26-50(43)57(39-20-8-3-9-21-39)53(47)33-45(38)41-23-11-10-22-40(41)44/h1-34H.
What are the key properties of 20-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-10-phenyl-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-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-10-phenyl-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 738.89 g/mol, XLogP of 13.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 20-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-10-phenyl-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 90310224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).