9-phenyl-14-prop-1-en-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C27H20N2 — CID 142355826

IUPAC9-phenyl-14-prop-1-en-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESC=C(C)n1c2ccccc2c2c3c4ccccc4n(-c4ccccc4)c3ccc21
InChIInChI=1S/C27H20N2/c1-18(2)28-22-14-8-6-12-20(22)26-24(28)16-17-25-27(26)21-13-7-9-15-23(21)29(25)19-10-4-3-5-11-19/h3-17H,1H2,2H3
InChIKeyJGXFHGTUGORESH-UHFFFAOYSA-N
MW372.47 g/mol
LogP7.38
Rot. Bonds2

About 9-phenyl-14-prop-1-en-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9-phenyl-14-prop-1-en-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 142355826) has the molecular formula C27H20N2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 9-phenyl-14-prop-1-en-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name9-phenyl-14-prop-1-en-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID142355826
Molecular FormulaC27H20N2
Molecular Weight372.47 g/mol
Exact Mass372.16
IUPAC Name9-phenyl-14-prop-1-en-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESC=C(C)n1c2ccccc2c2c3c4ccccc4n(-c4ccccc4)c3ccc21
InChIInChI=1S/C27H20N2/c1-18(2)28-22-14-8-6-12-20(22)26-24(28)16-17-25-27(26)21-13-7-9-15-23(21)29(25)19-10-4-3-5-11-19/h3-17H,1H2,2H3
InChIKeyJGXFHGTUGORESH-UHFFFAOYSA-N
XLogP7.38
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-phenyl-14-prop-1-en-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Related Compounds

9-phenyl-14-[10-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)anthracen-9-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170394033
trimethyl-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]germane
CID 168805846
9-phenyl-14-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;prop-1-ene
CID 145334335
9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane
CID 177063537
9-(4-ethylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118689637
(9-phenylcarbazol-4-yl)boronic acid
CID 90057429
9-phenyl-14-pyrimidin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038360
9-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134168669
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
ethane;(9-phenylcarbazol-4-yl)boronic acid
CID 178110282
9,15-diphenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 122464932
9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118509099

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-14-prop-1-en-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 9-phenyl-14-prop-1-en-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 142355826) is 9-phenyl-14-prop-1-en-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 9-phenyl-14-prop-1-en-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 9-phenyl-14-prop-1-en-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is C=C(C)n1c2ccccc2c2c3c4ccccc4n(-c4ccccc4)c3ccc21.
What is the InChIKey of 9-phenyl-14-prop-1-en-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is JGXFHGTUGORESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2/c1-18(2)28-22-14-8-6-12-20(22)26-24(28)16-17-25-27(26)21-13-7-9-15-23(21)29(25)19-10-4-3-5-11-19/h3-17H,1H2,2H3.
What are the key properties of 9-phenyl-14-prop-1-en-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
9-phenyl-14-prop-1-en-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 372.47 g/mol, XLogP of 7.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-14-prop-1-en-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 142355826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).