N-indol-1-yltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-imine

C27H18N2 — CID 176729904

IUPACN-indol-1-yltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-imine
SMILESc1ccc2c(c1)ccn2N=c1c2ccccc2c2ccccc2c2ccccc12
InChIInChI=1S/C27H18N2/c1-8-16-26-19(9-1)17-18-29(26)28-27-24-14-6-4-12-22(24)20-10-2-3-11-21(20)23-13-5-7-15-25(23)27/h1-18H
InChIKeyWLSGCYSLWIKIDO-UHFFFAOYSA-N
MW370.46 g/mol
LogP6.46
Rot. Bonds1

About N-indol-1-yltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-imine

N-indol-1-yltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-imine (PubChem CID 176729904) has the molecular formula C27H18N2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-indol-1-yltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-imine.

Molecular Properties

Compound NameN-indol-1-yltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-imine
PubChem CID176729904
Molecular FormulaC27H18N2
Molecular Weight370.46 g/mol
Exact Mass370.15
IUPAC NameN-indol-1-yltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-imine
SMILESc1ccc2c(c1)ccn2N=c1c2ccccc2c2ccccc2c2ccccc12
InChIInChI=1S/C27H18N2/c1-8-16-26-19(9-1)17-18-29(26)28-27-24-14-6-4-12-22(24)20-10-2-3-11-21(20)23-13-5-7-15-25(23)27/h1-18H
InChIKeyWLSGCYSLWIKIDO-UHFFFAOYSA-N
XLogP6.46
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 89454939
ethane;1-methylindole;1-methyltriphenylene
CID 159697766
ethane;1-methylindole
CID 91600075
1-[(E)-2-indol-1-ylethenyl]indole
CID 6425891
1-(2-fluoroethyl)indole
CID 80694500
4-indol-1-ylisoquinoline
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1-(1H-indol-3-ylmethyl)indole
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N-(4-ethenylphenyl)-1-indol-1-ylmethanimine
CID 177413145
indol-1-ylboronic acid
CID 91309528
O-indol-1-ylhydroxylamine
CID 57016853

Frequently Asked Questions

What is the IUPAC name of N-indol-1-yltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-imine?
The IUPAC name of N-indol-1-yltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-imine (CID 176729904) is N-indol-1-yltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-imine.
What is the SMILES notation for N-indol-1-yltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-imine?
The canonical SMILES for N-indol-1-yltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-imine is c1ccc2c(c1)ccn2N=c1c2ccccc2c2ccccc2c2ccccc12.
What is the InChIKey of N-indol-1-yltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-imine?
The InChIKey is WLSGCYSLWIKIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2/c1-8-16-26-19(9-1)17-18-29(26)28-27-24-14-6-4-12-22(24)20-10-2-3-11-21(20)23-13-5-7-15-25(23)27/h1-18H.
What are the key properties of N-indol-1-yltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-imine?
N-indol-1-yltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-imine has a molecular weight of 370.46 g/mol, XLogP of 6.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-indol-1-yltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-imine is sourced from PubChem (CID 176729904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).