14,22-diphenyl-9,14,22-triazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),5,7,15(23),16(21),17-heptaene

C32H27N3 — CID 118203367

IUPAC14,22-diphenyl-9,14,22-triazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),5,7,15(23),16(21),17-heptaene
SMILESC1=CCC2C(=C1)NC1=C2c2c(n(-c3ccccc3)c3c4c(n(-c5ccccc5)c23)CCC=C4)CC1
InChIInChI=1S/C32H27N3/c1-3-11-21(12-4-1)34-27-18-10-8-16-24(27)31-32(34)30-28(35(31)22-13-5-2-6-14-22)20-19-26-29(30)23-15-7-9-17-25(23)33-26/h1-9,11-14,16-17,23,33H,10,15,18-20H2
InChIKeyUGWNOEAZYQTDDL-UHFFFAOYSA-N
MW453.59 g/mol
LogP7.10
Rot. Bonds2

About 14,22-diphenyl-9,14,22-triazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),5,7,15(23),16(21),17-heptaene

14,22-diphenyl-9,14,22-triazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),5,7,15(23),16(21),17-heptaene (PubChem CID 118203367) has the molecular formula C32H27N3 and a molecular weight of 453.59 g/mol. Its IUPAC name is 14,22-diphenyl-9,14,22-triazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),5,7,15(23),16(21),17-heptaene.

Molecular Properties

Compound Name14,22-diphenyl-9,14,22-triazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),5,7,15(23),16(21),17-heptaene
PubChem CID118203367
Molecular FormulaC32H27N3
Molecular Weight453.59 g/mol
Exact Mass453.22
IUPAC Name14,22-diphenyl-9,14,22-triazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),5,7,15(23),16(21),17-heptaene
SMILESC1=CCC2C(=C1)NC1=C2c2c(n(-c3ccccc3)c3c4c(n(-c5ccccc5)c23)CCC=C4)CC1
InChIInChI=1S/C32H27N3/c1-3-11-21(12-4-1)34-27-18-10-8-16-24(27)31-32(34)30-28(35(31)22-13-5-2-6-14-22)20-19-26-29(30)23-15-7-9-17-25(23)33-26/h1-9,11-14,16-17,23,33H,10,15,18-20H2
InChIKeyUGWNOEAZYQTDDL-UHFFFAOYSA-N
XLogP7.10
TPSA21.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 14,22-diphenyl-9,14,22-triazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),5,7,15(23),16(21),17-heptaene with MolForge

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Related Compounds

22-cyclohexa-1,5-dien-1-yl-14-phenyl-9,14,22-triazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),5,7,15(23),16(21),17-heptaene
CID 118203686
9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997
9-[2-[2-cyclohexa-1,5-dien-1-yl-6-[2-(1,2,7,8-tetrahydrocarbazol-9-yl)cyclohexa-2,4-dien-1-yl]-1,4-dihydro-1,3,5-triazin-4-yl]cyclohexa-1,3-dien-1-yl]carbazole
CID 175623925
9-phenyl-6-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrocarbazole
CID 88932452
4,15-diphenyl-4,15,24-triazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),8,12,17(25),18,20,22,26-undecaen-24-amine
CID 163490862
10-cyclohexa-2,4-dien-1-yl-10-phenyl-3-(12-phenyl-3,4-dihydroindolo[3,2-c]carbazol-5-yl)anthracen-9-one
CID 142288765
9-cyclohexa-1,3-dien-1-yl-1-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-1-yl]carbazole
CID 169037269
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
9a,10-dihydro-1H-acridin-9-one
CID 18616822
17,17,34,34-tetramethyl-13,30-diphenyl-13,30-diazanonacyclo[18.14.0.03,18.04,16.06,14.07,12.021,33.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(12),8,14,18,21(33),22,24(29),25,31-tridecaene
CID 70919345
5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole
CID 144920025
5-phenyl-7,8-dihydro-6H-cyclohepta[b]indole
CID 143532296

Frequently Asked Questions

What is the IUPAC name of 14,22-diphenyl-9,14,22-triazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),5,7,15(23),16(21),17-heptaene?
The IUPAC name of 14,22-diphenyl-9,14,22-triazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),5,7,15(23),16(21),17-heptaene (CID 118203367) is 14,22-diphenyl-9,14,22-triazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),5,7,15(23),16(21),17-heptaene.
What is the SMILES notation for 14,22-diphenyl-9,14,22-triazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),5,7,15(23),16(21),17-heptaene?
The canonical SMILES for 14,22-diphenyl-9,14,22-triazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),5,7,15(23),16(21),17-heptaene is C1=CCC2C(=C1)NC1=C2c2c(n(-c3ccccc3)c3c4c(n(-c5ccccc5)c23)CCC=C4)CC1.
What is the InChIKey of 14,22-diphenyl-9,14,22-triazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),5,7,15(23),16(21),17-heptaene?
The InChIKey is UGWNOEAZYQTDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N3/c1-3-11-21(12-4-1)34-27-18-10-8-16-24(27)31-32(34)30-28(35(31)22-13-5-2-6-14-22)20-19-26-29(30)23-15-7-9-17-25(23)33-26/h1-9,11-14,16-17,23,33H,10,15,18-20H2.
What are the key properties of 14,22-diphenyl-9,14,22-triazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),5,7,15(23),16(21),17-heptaene?
14,22-diphenyl-9,14,22-triazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),5,7,15(23),16(21),17-heptaene has a molecular weight of 453.59 g/mol, XLogP of 7.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14,22-diphenyl-9,14,22-triazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),5,7,15(23),16(21),17-heptaene is sourced from PubChem (CID 118203367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).