24-[4-(3,5-diphenylphenyl)-1,2-dihydroquinazolin-2-yl]-20-phenyl-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene

C54H36N4 — CID 90231149

IUPAC24-[4-(3,5-diphenylphenyl)-1,2-dihydroquinazolin-2-yl]-20-phenyl-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene
SMILESc1ccc(-c2cc(C3=NC(n4c5cc6c(ccn6-c6ccccc6)cc5c5c6ccccc6c6ccccc6c54)Nc4ccccc43)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C54H36N4/c1-4-16-35(17-5-1)38-30-39(36-18-6-2-7-19-36)32-40(31-38)52-46-26-14-15-27-48(46)55-54(56-52)58-50-34-49-37(28-29-57(49)41-20-8-3-9-21-41)33-47(50)51-44-24-12-10-22-42(44)43-23-11-13-25-45(43)53(51)58/h1-34,54-55H
InChIKeyQYXLNIFRLJCSQG-UHFFFAOYSA-N
MW740.91 g/mol
LogP13.80
Rot. Bonds5

About 24-[4-(3,5-diphenylphenyl)-1,2-dihydroquinazolin-2-yl]-20-phenyl-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene

24-[4-(3,5-diphenylphenyl)-1,2-dihydroquinazolin-2-yl]-20-phenyl-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene (PubChem CID 90231149) has the molecular formula C54H36N4 and a molecular weight of 740.91 g/mol. Its IUPAC name is 24-[4-(3,5-diphenylphenyl)-1,2-dihydroquinazolin-2-yl]-20-phenyl-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene.

Molecular Properties

Compound Name24-[4-(3,5-diphenylphenyl)-1,2-dihydroquinazolin-2-yl]-20-phenyl-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene
PubChem CID90231149
Molecular FormulaC54H36N4
Molecular Weight740.91 g/mol
Exact Mass740.29
IUPAC Name24-[4-(3,5-diphenylphenyl)-1,2-dihydroquinazolin-2-yl]-20-phenyl-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene
SMILESc1ccc(-c2cc(C3=NC(n4c5cc6c(ccn6-c6ccccc6)cc5c5c6ccccc6c6ccccc6c54)Nc4ccccc43)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C54H36N4/c1-4-16-35(17-5-1)38-30-39(36-18-6-2-7-19-36)32-40(31-38)52-46-26-14-15-27-48(46)55-54(56-52)58-50-34-49-37(28-29-57(49)41-20-8-3-9-21-41)33-47(50)51-44-24-12-10-22-42(44)43-23-11-13-25-45(43)53(51)58/h1-34,54-55H
InChIKeyQYXLNIFRLJCSQG-UHFFFAOYSA-N
XLogP13.80
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 513.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 24-[4-(3,5-diphenylphenyl)-1,2-dihydroquinazolin-2-yl]-20-phenyl-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene with MolForge

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Related Compounds

11-(4-phenyl-1,2-dihydroquinazolin-2-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
CID 90231140
15-phenyl-12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 168721281
11-phenyl-33-(4-phenyl-1,2-dihydroquinazolin-2-yl)-11,21,33-triazanonacyclo[19.10.1.113,16.02,14.04,12.05,10.015,20.022,27.028,32]tritriaconta-1(31),2(14),3,5,7,9,12,15(20),16,18,22,24,26,28(32),29-pentadecaene
CID 129199965
3-phenyl-5-[4-(3-phenylphenyl)-1,2-dihydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 90076067
15-(9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaen-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene
CID 129299062
12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole
CID 163718010
11-[4-(3,5-diphenylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
CID 90231145
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazole
CID 129312385
7-(4-naphtho[2,3-b][1]benzothiol-1-yl-1,2-dihydroquinazolin-2-yl)-10-phenylbenzo[c]carbazole
CID 156564448
16-(3,5-diphenylphenyl)-10-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 90223381
7-phenyl-20-(3-phenylphenyl)-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
CID 90223138
23-(4,6-diphenyl-2-pyridinyl)-3,19-diphenyl-3,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,20-decaene
CID 90267340

Frequently Asked Questions

What is the IUPAC name of 24-[4-(3,5-diphenylphenyl)-1,2-dihydroquinazolin-2-yl]-20-phenyl-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene?
The IUPAC name of 24-[4-(3,5-diphenylphenyl)-1,2-dihydroquinazolin-2-yl]-20-phenyl-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene (CID 90231149) is 24-[4-(3,5-diphenylphenyl)-1,2-dihydroquinazolin-2-yl]-20-phenyl-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene.
What is the SMILES notation for 24-[4-(3,5-diphenylphenyl)-1,2-dihydroquinazolin-2-yl]-20-phenyl-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene?
The canonical SMILES for 24-[4-(3,5-diphenylphenyl)-1,2-dihydroquinazolin-2-yl]-20-phenyl-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene is c1ccc(-c2cc(C3=NC(n4c5cc6c(ccn6-c6ccccc6)cc5c5c6ccccc6c6ccccc6c54)Nc4ccccc43)cc(-c3ccccc3)c2)cc1.
What is the InChIKey of 24-[4-(3,5-diphenylphenyl)-1,2-dihydroquinazolin-2-yl]-20-phenyl-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene?
The InChIKey is QYXLNIFRLJCSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4/c1-4-16-35(17-5-1)38-30-39(36-18-6-2-7-19-36)32-40(31-38)52-46-26-14-15-27-48(46)55-54(56-52)58-50-34-49-37(28-29-57(49)41-20-8-3-9-21-41)33-47(50)51-44-24-12-10-22-42(44)43-23-11-13-25-45(43)53(51)58/h1-34,54-55H.
What are the key properties of 24-[4-(3,5-diphenylphenyl)-1,2-dihydroquinazolin-2-yl]-20-phenyl-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene?
24-[4-(3,5-diphenylphenyl)-1,2-dihydroquinazolin-2-yl]-20-phenyl-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene has a molecular weight of 740.91 g/mol, XLogP of 13.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 24-[4-(3,5-diphenylphenyl)-1,2-dihydroquinazolin-2-yl]-20-phenyl-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene is sourced from PubChem (CID 90231149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).