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

C32H29N3 — CID 118203686

IUPAC22-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
SMILESC1=CCC2C(=C1)NC1=C2c2c(n(-c3ccccc3)c3c4c(n(C5=CCCC=C5)c23)CCC=C4)CC1
InChIInChI=1S/C32H29N3/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/h2-3,5-9,11-14,16-17,23,33H,1,4,10,15,18-20H2
InChIKeyCARBLOSNDORQQX-UHFFFAOYSA-N
MW455.61 g/mol
LogP7.30
Rot. Bonds2

About 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

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 (PubChem CID 118203686) has the molecular formula C32H29N3 and a molecular weight of 455.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name22-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
PubChem CID118203686
Molecular FormulaC32H29N3
Molecular Weight455.61 g/mol
Exact Mass455.24
IUPAC Name22-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
SMILESC1=CCC2C(=C1)NC1=C2c2c(n(-c3ccccc3)c3c4c(n(C5=CCCC=C5)c23)CCC=C4)CC1
InChIInChI=1S/C32H29N3/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/h2-3,5-9,11-14,16-17,23,33H,1,4,10,15,18-20H2
InChIKeyCARBLOSNDORQQX-UHFFFAOYSA-N
XLogP7.30
TPSA21.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.61
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
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
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 149407778
9-cyclohexa-1,5-dien-1-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 155112233
9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997
CID 174151922
CID 174151922
3-(4-cyclohexa-1,5-dien-1-ylspiro[1,2,3,4-tetrahydroxanthene-9,9'-5,10a-dihydroxanthene]-2'-yl)-9-phenyl-1,2,3,4,7,8-hexahydrocarbazole
CID 135159160
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
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 123699580
9-cyclohexa-1,3-dien-1-yl-1-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-1-yl]carbazole
CID 169037269

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CCC2C(=C1)NC1=C2c2c(n(-c3ccccc3)c3c4c(n(C5=CCCC=C5)c23)CCC=C4)CC1.
What is the InChIKey of 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?
The InChIKey is CARBLOSNDORQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3/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/h2-3,5-9,11-14,16-17,23,33H,1,4,10,15,18-20H2.
What are the key properties of 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?
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 has a molecular weight of 455.61 g/mol, XLogP of 7.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118203686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).