4-[10-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]anthracen-9-yl]-2,6-diphenylpyrimidine

C62H38N2 — CID 167413060

IUPAC4-[10-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]anthracen-9-yl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3c4ccccc4c(-c4ccc(-c5cc6cccc7c8ccccc8c8ccccc8c8cccc5c8c67)cc4)c4ccccc34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C62H38N2/c1-3-17-40(18-4-1)56-38-57(64-62(63-56)42-19-5-2-6-20-42)60-52-28-13-11-26-50(52)58(51-27-12-14-29-53(51)60)41-35-33-39(34-36-41)55-37-43-21-15-30-48-46-24-9-7-22-44(46)45-23-8-10-25-47(45)49-31-16-32-54(55)61(49)59(43)48/h1-38H/b45-44-,48-46-,49-47-
InChIKeyDRJZDPKMAWVVAY-TWRFMULXSA-N
MW811.00 g/mol
LogP16.88
Rot. Bonds5

About 4-[10-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]anthracen-9-yl]-2,6-diphenylpyrimidine

4-[10-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]anthracen-9-yl]-2,6-diphenylpyrimidine (PubChem CID 167413060) has the molecular formula C62H38N2 and a molecular weight of 811.00 g/mol. Its IUPAC name is 4-[10-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]anthracen-9-yl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[10-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]anthracen-9-yl]-2,6-diphenylpyrimidine
PubChem CID167413060
Molecular FormulaC62H38N2
Molecular Weight811.00 g/mol
Exact Mass810.30
IUPAC Name4-[10-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]anthracen-9-yl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3c4ccccc4c(-c4ccc(-c5cc6cccc7c8ccccc8c8ccccc8c8cccc5c8c67)cc4)c4ccccc34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C62H38N2/c1-3-17-40(18-4-1)56-38-57(64-62(63-56)42-19-5-2-6-20-42)60-52-28-13-11-26-50(52)58(51-27-12-14-29-53(51)60)41-35-33-39(34-36-41)55-37-43-21-15-30-48-46-24-9-7-22-44(46)45-23-8-10-25-47(45)49-31-16-32-54(55)61(49)59(43)48/h1-38H/b45-44-,48-46-,49-47-
InChIKeyDRJZDPKMAWVVAY-TWRFMULXSA-N
XLogP16.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.00
LogP ≤ 516.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-[10-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]anthracen-9-yl]-2,6-diphenylpyrimidine with MolForge

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Related Compounds

4-[4-[10-(19-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaenyl)anthracen-9-yl]phenyl]-2,6-diphenylpyrimidine
CID 167412533
2-phenyl-4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(2-phenylnaphthalen-1-yl)pyrimidine
CID 176632391
4-(4-benzo[c]phenanthren-5-ylphenyl)-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine
CID 130264174
4-anthracen-9-yl-6-[4-[4-(6-anthracen-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 88557909
4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyrimidine
CID 145299161
4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]-2,6-diphenylpyrimidine
CID 167412739
4,6-diphenyl-2-[4-(7-phenylbenzo[a]anthracen-12-yl)phenyl]pyrimidine
CID 164799714
4-(4-benzo[c]phenanthren-5-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130264179
4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)-2,6-diphenylpyrimidine
CID 59722112
4-(3-methylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 129128235
2-[10-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine
CID 135245605
4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine
CID 59779601

Frequently Asked Questions

What is the IUPAC name of 4-[10-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]anthracen-9-yl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[10-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]anthracen-9-yl]-2,6-diphenylpyrimidine (CID 167413060) is 4-[10-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]anthracen-9-yl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[10-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]anthracen-9-yl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[10-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]anthracen-9-yl]-2,6-diphenylpyrimidine is c1ccc(-c2cc(-c3c4ccccc4c(-c4ccc(-c5cc6cccc7c8ccccc8c8ccccc8c8cccc5c8c67)cc4)c4ccccc34)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[10-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]anthracen-9-yl]-2,6-diphenylpyrimidine?
The InChIKey is DRJZDPKMAWVVAY-TWRFMULXSA-N. The full InChI is InChI=1S/C62H38N2/c1-3-17-40(18-4-1)56-38-57(64-62(63-56)42-19-5-2-6-20-42)60-52-28-13-11-26-50(52)58(51-27-12-14-29-53(51)60)41-35-33-39(34-36-41)55-37-43-21-15-30-48-46-24-9-7-22-44(46)45-23-8-10-25-47(45)49-31-16-32-54(55)61(49)59(43)48/h1-38H/b45-44-,48-46-,49-47-.
What are the key properties of 4-[10-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]anthracen-9-yl]-2,6-diphenylpyrimidine?
4-[10-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]anthracen-9-yl]-2,6-diphenylpyrimidine has a molecular weight of 811.00 g/mol, XLogP of 16.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]anthracen-9-yl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 167413060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).