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

C50H31N5 — CID 129199965

IUPAC11-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
SMILESc1ccc(C2=NC(n3c4cccc5c4c4c(cc6c7ccccc7n(-c7ccccc7)c6c43)c3cccc4c6ccccc6n5c34)Nc3ccccc32)cc1
InChIInChI=1S/C50H31N5/c1-3-15-30(16-4-1)46-36-21-7-10-24-39(36)51-50(52-46)55-43-28-14-27-42-45(43)44-37(35-23-13-22-34-32-19-8-12-26-41(32)54(42)47(34)35)29-38-33-20-9-11-25-40(33)53(48(38)49(44)55)31-17-5-2-6-18-31/h1-29,50-51H
InChIKeyMFOSYLQGSBDOSQ-UHFFFAOYSA-N
MW701.83 g/mol
LogP12.46
Rot. Bonds3

About 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

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 (PubChem CID 129199965) has the molecular formula C50H31N5 and a molecular weight of 701.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-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
PubChem CID129199965
Molecular FormulaC50H31N5
Molecular Weight701.83 g/mol
Exact Mass701.26
IUPAC Name11-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
SMILESc1ccc(C2=NC(n3c4cccc5c4c4c(cc6c7ccccc7n(-c7ccccc7)c6c43)c3cccc4c6ccccc6n5c34)Nc3ccccc32)cc1
InChIInChI=1S/C50H31N5/c1-3-15-30(16-4-1)46-36-21-7-10-24-39(36)51-50(52-46)55-43-28-14-27-42-45(43)44-37(35-23-13-22-34-32-19-8-12-26-41(32)54(42)47(34)35)29-38-33-20-9-11-25-40(33)53(48(38)49(44)55)31-17-5-2-6-18-31/h1-29,50-51H
InChIKeyMFOSYLQGSBDOSQ-UHFFFAOYSA-N
XLogP12.46
TPSA38.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.83
LogP ≤ 512.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole
CID 163718010
7-phenyl-5-[3-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]indolo[2,3-b]carbazole
CID 163618341
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazole
CID 129312385
12-[3-(2-phenyl-1,2-dihydroquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 130180366
1-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole
CID 137466576
9-phenyl-31-[3-[3-(42-phenyl-5,20,27,42-tetrazatridecacyclo[25.17.1.15,12.02,26.04,24.06,11.013,21.014,19.028,33.034,45.035,43.036,41.023,46]hexatetraconta-1(44),2,4(24),6,8,10,12(46),13(21),14,16,18,22,25,28,30,32,34(45),35(43),36,38,40-henicosaen-20-yl)phenyl]phenyl]-5,9,27,31-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene
CID 167304313
9-phenyl-1-[2-(3-phenylphenyl)phenyl]carbazole
CID 175012916
9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole
CID 71127197
9-phenyl-1-[3-[5-[3-(9-phenylcarbazol-1-yl)phenyl]furan-2-yl]phenyl]carbazole
CID 71127207
26-[3-(5-phenyl-1,2-dihydropyridin-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 129200154
7-methyl-7-phenyl-5-(4-phenyl-1,2-dihydroquinazolin-2-yl)indeno[2,1-b]carbazole
CID 145377266

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2=NC(n3c4cccc5c4c4c(cc6c7ccccc7n(-c7ccccc7)c6c43)c3cccc4c6ccccc6n5c34)Nc3ccccc32)cc1.
What is the InChIKey of 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?
The InChIKey is MFOSYLQGSBDOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5/c1-3-15-30(16-4-1)46-36-21-7-10-24-39(36)51-50(52-46)55-43-28-14-27-42-45(43)44-37(35-23-13-22-34-32-19-8-12-26-41(32)54(42)47(34)35)29-38-33-20-9-11-25-40(33)53(48(38)49(44)55)31-17-5-2-6-18-31/h1-29,50-51H.
What are the key properties of 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?
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 has a molecular weight of 701.83 g/mol, XLogP of 12.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129199965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).