13-ethenyl-9,14,23-triphenyl-12-[(Z)-prop-1-enyl]-9,14,23-triazahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,12,15,17,19,21-decaene

C43H31N3 — CID 144536744

IUPAC13-ethenyl-9,14,23-triphenyl-12-[(Z)-prop-1-enyl]-9,14,23-triazahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,12,15,17,19,21-decaene
SMILESC=Cc1c(/C=C\C)c2c(c3c4ccccc4n(-c4ccccc4)c3c3c4ccccc4n(-c4ccccc4)c23)n1-c1ccccc1
InChIInChI=1S/C43H31N3/c1-3-18-32-35(4-2)44(29-19-8-5-9-20-29)41-38(32)42-40(34-26-15-17-28-37(34)45(42)30-21-10-6-11-22-30)43-39(41)33-25-14-16-27-36(33)46(43)31-23-12-7-13-24-31/h3-28H,2H2,1H3/b18-3-
InChIKeyGICSLURUEDZLHV-ZUWFHJRGSA-N
MW589.74 g/mol
LogP11.50
Rot. Bonds5

About 13-ethenyl-9,14,23-triphenyl-12-[(Z)-prop-1-enyl]-9,14,23-triazahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,12,15,17,19,21-decaene

13-ethenyl-9,14,23-triphenyl-12-[(Z)-prop-1-enyl]-9,14,23-triazahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,12,15,17,19,21-decaene (PubChem CID 144536744) has the molecular formula C43H31N3 and a molecular weight of 589.74 g/mol. Its IUPAC name is 13-ethenyl-9,14,23-triphenyl-12-[(Z)-prop-1-enyl]-9,14,23-triazahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,12,15,17,19,21-decaene.

Molecular Properties

Compound Name13-ethenyl-9,14,23-triphenyl-12-[(Z)-prop-1-enyl]-9,14,23-triazahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,12,15,17,19,21-decaene
PubChem CID144536744
Molecular FormulaC43H31N3
Molecular Weight589.74 g/mol
Exact Mass589.25
IUPAC Name13-ethenyl-9,14,23-triphenyl-12-[(Z)-prop-1-enyl]-9,14,23-triazahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,12,15,17,19,21-decaene
SMILESC=Cc1c(/C=C\C)c2c(c3c4ccccc4n(-c4ccccc4)c3c3c4ccccc4n(-c4ccccc4)c23)n1-c1ccccc1
InChIInChI=1S/C43H31N3/c1-3-18-32-35(4-2)44(29-19-8-5-9-20-29)41-38(32)42-40(34-26-15-17-28-37(34)45(42)30-21-10-6-11-22-30)43-39(41)33-25-14-16-27-36(33)46(43)31-23-12-7-13-24-31/h3-28H,2H2,1H3/b18-3-
InChIKeyGICSLURUEDZLHV-ZUWFHJRGSA-N
XLogP11.50
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 13-ethenyl-9,14,23-triphenyl-12-[(Z)-prop-1-enyl]-9,14,23-triazahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,12,15,17,19,21-decaene with MolForge

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Related Compounds

2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 138736833
ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
CID 176690298
21-ethenyl-4,22-diphenyl-20-[(Z)-prop-1-enyl]-4,15,22-triazaoctacyclo[13.13.1.02,14.03,11.05,10.016,24.019,23.025,29]nonacosa-1(29),2(14),3(11),5,7,9,12,16(24),17,19(23),20,25,27-tridecaene
CID 166881227
13-ethenyl-9-phenyl-12-(4-phenylquinazolin-2-yl)-14-[(Z)-prop-1-enyl]-9,12-diazaheptacyclo[14.12.0.02,10.03,8.011,15.017,22.023,28]octacosa-1(16),2(10),3,5,7,11(15),13,17,19,21,23,25,27-tridecaene
CID 134370587
4-N-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 137384769
benzene;13-ethenyl-12-[4-(4-methyl-6-phenylpyrimidin-2-yl)phenyl]-3-phenyl-14-[(Z)-prop-1-enyl]-3,12-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),13,17,19,21-decaene
CID 144726126
[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]boronic acid
CID 167453480
9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole
CID 89315996
N-[4-[4-(N-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-9-phenylcarbazol-3-amine
CID 130309344
9-(3,5-dibromophenyl)-3-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]carbazole
CID 145163222
(4Z,5E)-2-ethenyl-4,5-di(ethylidene)-1-phenyl-3-prop-1-enylpyrrole
CID 144543415
5-ethenyl-20-phenyl-4-[(Z)-prop-1-enyl]-3-thia-8,11,20-triazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),4,7,9,11,14,16,18-nonaene
CID 146651451

Frequently Asked Questions

What is the IUPAC name of 13-ethenyl-9,14,23-triphenyl-12-[(Z)-prop-1-enyl]-9,14,23-triazahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,12,15,17,19,21-decaene?
The IUPAC name of 13-ethenyl-9,14,23-triphenyl-12-[(Z)-prop-1-enyl]-9,14,23-triazahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,12,15,17,19,21-decaene (CID 144536744) is 13-ethenyl-9,14,23-triphenyl-12-[(Z)-prop-1-enyl]-9,14,23-triazahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,12,15,17,19,21-decaene.
What is the SMILES notation for 13-ethenyl-9,14,23-triphenyl-12-[(Z)-prop-1-enyl]-9,14,23-triazahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,12,15,17,19,21-decaene?
The canonical SMILES for 13-ethenyl-9,14,23-triphenyl-12-[(Z)-prop-1-enyl]-9,14,23-triazahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,12,15,17,19,21-decaene is C=Cc1c(/C=C\C)c2c(c3c4ccccc4n(-c4ccccc4)c3c3c4ccccc4n(-c4ccccc4)c23)n1-c1ccccc1.
What is the InChIKey of 13-ethenyl-9,14,23-triphenyl-12-[(Z)-prop-1-enyl]-9,14,23-triazahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,12,15,17,19,21-decaene?
The InChIKey is GICSLURUEDZLHV-ZUWFHJRGSA-N. The full InChI is InChI=1S/C43H31N3/c1-3-18-32-35(4-2)44(29-19-8-5-9-20-29)41-38(32)42-40(34-26-15-17-28-37(34)45(42)30-21-10-6-11-22-30)43-39(41)33-25-14-16-27-36(33)46(43)31-23-12-7-13-24-31/h3-28H,2H2,1H3/b18-3-.
What are the key properties of 13-ethenyl-9,14,23-triphenyl-12-[(Z)-prop-1-enyl]-9,14,23-triazahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,12,15,17,19,21-decaene?
13-ethenyl-9,14,23-triphenyl-12-[(Z)-prop-1-enyl]-9,14,23-triazahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,12,15,17,19,21-decaene has a molecular weight of 589.74 g/mol, XLogP of 11.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-ethenyl-9,14,23-triphenyl-12-[(Z)-prop-1-enyl]-9,14,23-triazahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,12,15,17,19,21-decaene is sourced from PubChem (CID 144536744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).