4,13,13-trimethyl-5-[(Z)-prop-1-enyl]-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene

C23H23N — CID 145322301

IUPAC4,13,13-trimethyl-5-[(Z)-prop-1-enyl]-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene
SMILESC/C=C\c1c(C)[nH]c2c1-c1ccccc1C(C)(C)c1ccccc1-2
InChIInChI=1S/C23H23N/c1-5-10-16-15(2)24-22-18-12-7-9-14-20(18)23(3,4)19-13-8-6-11-17(19)21(16)22/h5-14,24H,1-4H3/b10-5-
InChIKeyPYRLRWYVZYYRCQ-YHYXMXQVSA-N
MW313.44 g/mol
LogP6.33
Rot. Bonds1

About 4,13,13-trimethyl-5-[(Z)-prop-1-enyl]-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene

4,13,13-trimethyl-5-[(Z)-prop-1-enyl]-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene (PubChem CID 145322301) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is 4,13,13-trimethyl-5-[(Z)-prop-1-enyl]-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene.

Molecular Properties

Compound Name4,13,13-trimethyl-5-[(Z)-prop-1-enyl]-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene
PubChem CID145322301
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC Name4,13,13-trimethyl-5-[(Z)-prop-1-enyl]-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene
SMILESC/C=C\c1c(C)[nH]c2c1-c1ccccc1C(C)(C)c1ccccc1-2
InChIInChI=1S/C23H23N/c1-5-10-16-15(2)24-22-18-12-7-9-14-20(18)23(3,4)19-13-8-6-11-17(19)21(16)22/h5-14,24H,1-4H3/b10-5-
InChIKeyPYRLRWYVZYYRCQ-YHYXMXQVSA-N
XLogP6.33
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 4,13,13-trimethyl-5-[(Z)-prop-1-enyl]-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene with MolForge

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Related Compounds

4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
2,10-diphenyl-9-(3,9,9-trimethyl-4-prop-1-enylfluoren-2-yl)anthracene
CID 91536828
ethane;4,9,9-trimethylfluorene
CID 123917181
6-ethyl-2,9,9-trimethyl-3-(2-methylphenyl)-5-[(Z)-prop-1-enyl]fluorene
CID 156646943
4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene
CID 58986977
(E)-2-[1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-2-yl]ethenamine
CID 70906139
9,9-dimethylfluorene;2H-tetrazole
CID 174886202
9,9-dimethylfluorene-4-carbaldehyde
CID 123972608
10-fluoren-9-ylidene-9,9-dimethylanthracene
CID 10832973
9,9-dimethyl-4-phenylfluorene;ethane
CID 144938731
carbanide;bis(9,9-dimethylfluoren-4-ol);titanium(2+)
CID 59317562
9,9-dimethyl-4-(3-methylphenyl)fluorene
CID 59182848

Frequently Asked Questions

What is the IUPAC name of 4,13,13-trimethyl-5-[(Z)-prop-1-enyl]-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene?
The IUPAC name of 4,13,13-trimethyl-5-[(Z)-prop-1-enyl]-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene (CID 145322301) is 4,13,13-trimethyl-5-[(Z)-prop-1-enyl]-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene.
What is the SMILES notation for 4,13,13-trimethyl-5-[(Z)-prop-1-enyl]-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene?
The canonical SMILES for 4,13,13-trimethyl-5-[(Z)-prop-1-enyl]-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene is C/C=C\c1c(C)[nH]c2c1-c1ccccc1C(C)(C)c1ccccc1-2.
What is the InChIKey of 4,13,13-trimethyl-5-[(Z)-prop-1-enyl]-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene?
The InChIKey is PYRLRWYVZYYRCQ-YHYXMXQVSA-N. The full InChI is InChI=1S/C23H23N/c1-5-10-16-15(2)24-22-18-12-7-9-14-20(18)23(3,4)19-13-8-6-11-17(19)21(16)22/h5-14,24H,1-4H3/b10-5-.
What are the key properties of 4,13,13-trimethyl-5-[(Z)-prop-1-enyl]-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene?
4,13,13-trimethyl-5-[(Z)-prop-1-enyl]-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene has a molecular weight of 313.44 g/mol, XLogP of 6.33, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,13,13-trimethyl-5-[(Z)-prop-1-enyl]-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene is sourced from PubChem (CID 145322301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).