4,24-bis(prop-2-enyl)-4,24-diazaheptacyclo[13.10.0.02,13.03,11.05,10.017,25.018,23]pentacosa-1(15),2(13),3(11),5,7,9,17(25),18,20,22-decaene

C29H24N2 — CID 155929556

IUPAC4,24-bis(prop-2-enyl)-4,24-diazaheptacyclo[13.10.0.02,13.03,11.05,10.017,25.018,23]pentacosa-1(15),2(13),3(11),5,7,9,17(25),18,20,22-decaene
SMILESC=CCn1c2c(c3ccccc31)CC1=C2C2=C(C1)Cc1c2n(CC=C)c2ccccc12
InChIInChI=1S/C29H24N2/c1-3-13-30-24-11-7-5-9-20(24)22-16-18-15-19-17-23-21-10-6-8-12-25(21)31(14-4-2)29(23)27(19)26(18)28(22)30/h3-12H,1-2,13-17H2
InChIKeyUEMHXLSORRDEBL-UHFFFAOYSA-N
MW400.53 g/mol
LogP6.69
Rot. Bonds4

About 4,24-bis(prop-2-enyl)-4,24-diazaheptacyclo[13.10.0.02,13.03,11.05,10.017,25.018,23]pentacosa-1(15),2(13),3(11),5,7,9,17(25),18,20,22-decaene

4,24-bis(prop-2-enyl)-4,24-diazaheptacyclo[13.10.0.02,13.03,11.05,10.017,25.018,23]pentacosa-1(15),2(13),3(11),5,7,9,17(25),18,20,22-decaene (PubChem CID 155929556) has the molecular formula C29H24N2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 4,24-bis(prop-2-enyl)-4,24-diazaheptacyclo[13.10.0.02,13.03,11.05,10.017,25.018,23]pentacosa-1(15),2(13),3(11),5,7,9,17(25),18,20,22-decaene.

Molecular Properties

Compound Name4,24-bis(prop-2-enyl)-4,24-diazaheptacyclo[13.10.0.02,13.03,11.05,10.017,25.018,23]pentacosa-1(15),2(13),3(11),5,7,9,17(25),18,20,22-decaene
PubChem CID155929556
Molecular FormulaC29H24N2
Molecular Weight400.53 g/mol
Exact Mass400.19
IUPAC Name4,24-bis(prop-2-enyl)-4,24-diazaheptacyclo[13.10.0.02,13.03,11.05,10.017,25.018,23]pentacosa-1(15),2(13),3(11),5,7,9,17(25),18,20,22-decaene
SMILESC=CCn1c2c(c3ccccc31)CC1=C2C2=C(C1)Cc1c2n(CC=C)c2ccccc12
InChIInChI=1S/C29H24N2/c1-3-13-30-24-11-7-5-9-20(24)22-16-18-15-19-17-23-21-10-6-8-12-25(21)31(14-4-2)29(23)27(19)26(18)28(22)30/h3-12H,1-2,13-17H2
InChIKeyUEMHXLSORRDEBL-UHFFFAOYSA-N
XLogP6.69
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4,24-bis(prop-2-enyl)-4,24-diazaheptacyclo[13.10.0.02,13.03,11.05,10.017,25.018,23]pentacosa-1(15),2(13),3(11),5,7,9,17(25),18,20,22-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,24-bis(prop-2-enyl)-4,24-diazaheptacyclo[13.10.0.02,13.03,11.05,10.017,25.018,23]pentacosa-1(15),2(13),3(11),5,7,9,17(25),18,20,22-decaene?
The IUPAC name of 4,24-bis(prop-2-enyl)-4,24-diazaheptacyclo[13.10.0.02,13.03,11.05,10.017,25.018,23]pentacosa-1(15),2(13),3(11),5,7,9,17(25),18,20,22-decaene (CID 155929556) is 4,24-bis(prop-2-enyl)-4,24-diazaheptacyclo[13.10.0.02,13.03,11.05,10.017,25.018,23]pentacosa-1(15),2(13),3(11),5,7,9,17(25),18,20,22-decaene.
What is the SMILES notation for 4,24-bis(prop-2-enyl)-4,24-diazaheptacyclo[13.10.0.02,13.03,11.05,10.017,25.018,23]pentacosa-1(15),2(13),3(11),5,7,9,17(25),18,20,22-decaene?
The canonical SMILES for 4,24-bis(prop-2-enyl)-4,24-diazaheptacyclo[13.10.0.02,13.03,11.05,10.017,25.018,23]pentacosa-1(15),2(13),3(11),5,7,9,17(25),18,20,22-decaene is C=CCn1c2c(c3ccccc31)CC1=C2C2=C(C1)Cc1c2n(CC=C)c2ccccc12.
What is the InChIKey of 4,24-bis(prop-2-enyl)-4,24-diazaheptacyclo[13.10.0.02,13.03,11.05,10.017,25.018,23]pentacosa-1(15),2(13),3(11),5,7,9,17(25),18,20,22-decaene?
The InChIKey is UEMHXLSORRDEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2/c1-3-13-30-24-11-7-5-9-20(24)22-16-18-15-19-17-23-21-10-6-8-12-25(21)31(14-4-2)29(23)27(19)26(18)28(22)30/h3-12H,1-2,13-17H2.
What are the key properties of 4,24-bis(prop-2-enyl)-4,24-diazaheptacyclo[13.10.0.02,13.03,11.05,10.017,25.018,23]pentacosa-1(15),2(13),3(11),5,7,9,17(25),18,20,22-decaene?
4,24-bis(prop-2-enyl)-4,24-diazaheptacyclo[13.10.0.02,13.03,11.05,10.017,25.018,23]pentacosa-1(15),2(13),3(11),5,7,9,17(25),18,20,22-decaene has a molecular weight of 400.53 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,24-bis(prop-2-enyl)-4,24-diazaheptacyclo[13.10.0.02,13.03,11.05,10.017,25.018,23]pentacosa-1(15),2(13),3(11),5,7,9,17(25),18,20,22-decaene is sourced from PubChem (CID 155929556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).