15-(3,5-diphenylphenyl)-3-phenyl-3,11,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene

C45H29N3 — CID 118506333

IUPAC15-(3,5-diphenylphenyl)-3-phenyl-3,11,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c(cnc6c7ccccc7n(-c7ccccc7)c56)c43)c2)cc1
InChIInChI=1S/C45H29N3/c1-4-14-30(15-5-1)32-26-33(31-16-6-2-7-17-31)28-35(27-32)48-41-22-12-10-20-36(41)37-24-25-38-40(44(37)48)29-46-43-39-21-11-13-23-42(39)47(45(38)43)34-18-8-3-9-19-34/h1-29H
InChIKeyXFGGWHVHSBTHHZ-UHFFFAOYSA-N
MW611.75 g/mol
LogP11.76
Rot. Bonds4

About 15-(3,5-diphenylphenyl)-3-phenyl-3,11,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene

15-(3,5-diphenylphenyl)-3-phenyl-3,11,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene (PubChem CID 118506333) has the molecular formula C45H29N3 and a molecular weight of 611.75 g/mol. Its IUPAC name is 15-(3,5-diphenylphenyl)-3-phenyl-3,11,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene.

Molecular Properties

Compound Name15-(3,5-diphenylphenyl)-3-phenyl-3,11,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene
PubChem CID118506333
Molecular FormulaC45H29N3
Molecular Weight611.75 g/mol
Exact Mass611.24
IUPAC Name15-(3,5-diphenylphenyl)-3-phenyl-3,11,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c(cnc6c7ccccc7n(-c7ccccc7)c56)c43)c2)cc1
InChIInChI=1S/C45H29N3/c1-4-14-30(15-5-1)32-26-33(31-16-6-2-7-17-31)28-35(27-32)48-41-22-12-10-20-36(41)37-24-25-38-40(44(37)48)29-46-43-39-21-11-13-23-42(39)47(45(38)43)34-18-8-3-9-19-34/h1-29H
InChIKeyXFGGWHVHSBTHHZ-UHFFFAOYSA-N
XLogP11.76
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.75
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15-(3,5-diphenylphenyl)-3-phenyl-3,11,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene with MolForge

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Related Compounds

12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole
CID 118318986
15-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)-3-(3-phenylphenyl)-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene;3-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)-15-phenyl-3,12,15,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(24),2(10),4,6,8,11,13,16,18,20,22-undecaene;3-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)-15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene
CID 158248236
4-[3-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenol
CID 170360926
3-(3,5-diphenylphenyl)-7-phenyl-15-thia-3,12-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16,18,20,23-undecaene;bis(3-(3,5-diphenylphenyl)-15-thia-3,12-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene)
CID 158624388
12-(3,5-diphenylphenyl)-5-phenylindolo[3,2-c]carbazole;12-(3,5-diphenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(3,5-diphenylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 167636301
9-(3,5-diphenylphenyl)carbazole
CID 86068368
3-(4-phenylphenyl)-15-oxa-3,11-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene
CID 118506396
12-phenyl-5-[3-phenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 58038424
9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole
CID 71127197
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole
CID 160788442

Frequently Asked Questions

What is the IUPAC name of 15-(3,5-diphenylphenyl)-3-phenyl-3,11,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene?
The IUPAC name of 15-(3,5-diphenylphenyl)-3-phenyl-3,11,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene (CID 118506333) is 15-(3,5-diphenylphenyl)-3-phenyl-3,11,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene.
What is the SMILES notation for 15-(3,5-diphenylphenyl)-3-phenyl-3,11,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene?
The canonical SMILES for 15-(3,5-diphenylphenyl)-3-phenyl-3,11,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c(cnc6c7ccccc7n(-c7ccccc7)c56)c43)c2)cc1.
What is the InChIKey of 15-(3,5-diphenylphenyl)-3-phenyl-3,11,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene?
The InChIKey is XFGGWHVHSBTHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3/c1-4-14-30(15-5-1)32-26-33(31-16-6-2-7-17-31)28-35(27-32)48-41-22-12-10-20-36(41)37-24-25-38-40(44(37)48)29-46-43-39-21-11-13-23-42(39)47(45(38)43)34-18-8-3-9-19-34/h1-29H.
What are the key properties of 15-(3,5-diphenylphenyl)-3-phenyl-3,11,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene?
15-(3,5-diphenylphenyl)-3-phenyl-3,11,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene has a molecular weight of 611.75 g/mol, XLogP of 11.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(3,5-diphenylphenyl)-3-phenyl-3,11,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 118506333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).