28-phenyl-28-azaheptacyclo[18.11.0.02,7.08,13.014,19.021,29.022,27]hentriaconta-1,3,5,7,9,11,13,15,17,19,21(29),22,24,26,30-pentadecaene

C36H23N — CID 118655945

IUPAC28-phenyl-28-azaheptacyclo[18.11.0.02,7.08,13.014,19.021,29.022,27]hentriaconta-1,3,5,7,9,11,13,15,17,19,21(29),22,24,26,30-pentadecaene
SMILESc1ccc(-n2c3ccccc3c3c4c(ccc32)=c2ccccc2=c2ccccc2=c2ccccc2=4)cc1
InChIInChI=1S/C36H23N/c1-2-12-24(13-3-1)37-33-21-11-10-20-32(33)36-34(37)23-22-31-29-18-7-6-16-27(29)25-14-4-5-15-26(25)28-17-8-9-19-30(28)35(31)36/h1-23H
InChIKeySSPWERJFCIIANI-UHFFFAOYSA-N
MW469.59 g/mol
LogP8.25
Rot. Bonds1

About 28-phenyl-28-azaheptacyclo[18.11.0.02,7.08,13.014,19.021,29.022,27]hentriaconta-1,3,5,7,9,11,13,15,17,19,21(29),22,24,26,30-pentadecaene

28-phenyl-28-azaheptacyclo[18.11.0.02,7.08,13.014,19.021,29.022,27]hentriaconta-1,3,5,7,9,11,13,15,17,19,21(29),22,24,26,30-pentadecaene (PubChem CID 118655945) has the molecular formula C36H23N and a molecular weight of 469.59 g/mol. Its IUPAC name is 28-phenyl-28-azaheptacyclo[18.11.0.02,7.08,13.014,19.021,29.022,27]hentriaconta-1,3,5,7,9,11,13,15,17,19,21(29),22,24,26,30-pentadecaene.

Molecular Properties

Compound Name28-phenyl-28-azaheptacyclo[18.11.0.02,7.08,13.014,19.021,29.022,27]hentriaconta-1,3,5,7,9,11,13,15,17,19,21(29),22,24,26,30-pentadecaene
PubChem CID118655945
Molecular FormulaC36H23N
Molecular Weight469.59 g/mol
Exact Mass469.18
IUPAC Name28-phenyl-28-azaheptacyclo[18.11.0.02,7.08,13.014,19.021,29.022,27]hentriaconta-1,3,5,7,9,11,13,15,17,19,21(29),22,24,26,30-pentadecaene
SMILESc1ccc(-n2c3ccccc3c3c4c(ccc32)=c2ccccc2=c2ccccc2=c2ccccc2=4)cc1
InChIInChI=1S/C36H23N/c1-2-12-24(13-3-1)37-33-21-11-10-20-32(33)36-34(37)23-22-31-29-18-7-6-16-27(29)25-14-4-5-15-26(25)28-17-8-9-19-30(28)35(31)36/h1-23H
InChIKeySSPWERJFCIIANI-UHFFFAOYSA-N
XLogP8.25
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 28-phenyl-28-azaheptacyclo[18.11.0.02,7.08,13.014,19.021,29.022,27]hentriaconta-1,3,5,7,9,11,13,15,17,19,21(29),22,24,26,30-pentadecaene 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
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
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-14-pyridin-1-ium-1-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 157154763
4-iodo-9-phenylcarbazole
CID 126592391
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-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
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

Frequently Asked Questions

What is the IUPAC name of 28-phenyl-28-azaheptacyclo[18.11.0.02,7.08,13.014,19.021,29.022,27]hentriaconta-1,3,5,7,9,11,13,15,17,19,21(29),22,24,26,30-pentadecaene?
The IUPAC name of 28-phenyl-28-azaheptacyclo[18.11.0.02,7.08,13.014,19.021,29.022,27]hentriaconta-1,3,5,7,9,11,13,15,17,19,21(29),22,24,26,30-pentadecaene (CID 118655945) is 28-phenyl-28-azaheptacyclo[18.11.0.02,7.08,13.014,19.021,29.022,27]hentriaconta-1,3,5,7,9,11,13,15,17,19,21(29),22,24,26,30-pentadecaene.
What is the SMILES notation for 28-phenyl-28-azaheptacyclo[18.11.0.02,7.08,13.014,19.021,29.022,27]hentriaconta-1,3,5,7,9,11,13,15,17,19,21(29),22,24,26,30-pentadecaene?
The canonical SMILES for 28-phenyl-28-azaheptacyclo[18.11.0.02,7.08,13.014,19.021,29.022,27]hentriaconta-1,3,5,7,9,11,13,15,17,19,21(29),22,24,26,30-pentadecaene is c1ccc(-n2c3ccccc3c3c4c(ccc32)=c2ccccc2=c2ccccc2=c2ccccc2=4)cc1.
What is the InChIKey of 28-phenyl-28-azaheptacyclo[18.11.0.02,7.08,13.014,19.021,29.022,27]hentriaconta-1,3,5,7,9,11,13,15,17,19,21(29),22,24,26,30-pentadecaene?
The InChIKey is SSPWERJFCIIANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N/c1-2-12-24(13-3-1)37-33-21-11-10-20-32(33)36-34(37)23-22-31-29-18-7-6-16-27(29)25-14-4-5-15-26(25)28-17-8-9-19-30(28)35(31)36/h1-23H.
What are the key properties of 28-phenyl-28-azaheptacyclo[18.11.0.02,7.08,13.014,19.021,29.022,27]hentriaconta-1,3,5,7,9,11,13,15,17,19,21(29),22,24,26,30-pentadecaene?
28-phenyl-28-azaheptacyclo[18.11.0.02,7.08,13.014,19.021,29.022,27]hentriaconta-1,3,5,7,9,11,13,15,17,19,21(29),22,24,26,30-pentadecaene has a molecular weight of 469.59 g/mol, XLogP of 8.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 28-phenyl-28-azaheptacyclo[18.11.0.02,7.08,13.014,19.021,29.022,27]hentriaconta-1,3,5,7,9,11,13,15,17,19,21(29),22,24,26,30-pentadecaene is sourced from PubChem (CID 118655945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).