4,19-dichloro-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene

C30H18Cl2N2 — CID 135130688

IUPAC4,19-dichloro-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
SMILESClc1cccc2c1c1c3c4c(Cl)cccc4n(-c4ccccc4)c3ccc1n2-c1ccccc1
InChIInChI=1S/C30H18Cl2N2/c31-21-13-7-15-23-27(21)29-25(33(23)19-9-3-1-4-10-19)17-18-26-30(29)28-22(32)14-8-16-24(28)34(26)20-11-5-2-6-12-20/h1-18H
InChIKeyFIGSLDLHECJWTR-UHFFFAOYSA-N
MW477.39 g/mol
LogP9.19
Rot. Bonds2

About 4,19-dichloro-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene

4,19-dichloro-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene (PubChem CID 135130688) has the molecular formula C30H18Cl2N2 and a molecular weight of 477.39 g/mol. Its IUPAC name is 4,19-dichloro-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene.

Molecular Properties

Compound Name4,19-dichloro-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
PubChem CID135130688
Molecular FormulaC30H18Cl2N2
Molecular Weight477.39 g/mol
Exact Mass476.08
IUPAC Name4,19-dichloro-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
SMILESClc1cccc2c1c1c3c4c(Cl)cccc4n(-c4ccccc4)c3ccc1n2-c1ccccc1
InChIInChI=1S/C30H18Cl2N2/c31-21-13-7-15-23-27(21)29-25(33(23)19-9-3-1-4-10-19)17-18-26-30(29)28-22(32)14-8-16-24(28)34(26)20-11-5-2-6-12-20/h1-18H
InChIKeyFIGSLDLHECJWTR-UHFFFAOYSA-N
XLogP9.19
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.39
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,19-dichloro-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene with MolForge

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Related Compounds

8-chloro-5,12-diphenylindolo[3,2-c]carbazole
CID 147599556
9,14-bis(4-phenylphenyl)-9,14-diazahexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(4-phenylphenyl)-9,14-diazahexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazahexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 157082810
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
3-(9-chlorodibenzofuran-4-yl)-9-phenylcarbazole
CID 142624048
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
2-(2-chloro-6-methoxyphenyl)-9-phenylcarbazole
CID 158413715
4-iodo-9-phenylcarbazole
CID 126592391
5-chloro-3-phenyl-9-(2-phenylphenyl)carbazole
CID 90370377
6',26,27-triphenylspiro[26,27-diazaheptacyclo[21.2.1.110,13.05,25.06,11.012,17.019,24]heptacosa-1,3,5(25),6(11),7,9,12(17),13,15,19(24),20,22-dodecaene-18,14'-6-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene]
CID 122522377
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
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-[2-(3-chlorophenyl)phenyl]-9-phenylcarbazole
CID 176719063

Frequently Asked Questions

What is the IUPAC name of 4,19-dichloro-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?
The IUPAC name of 4,19-dichloro-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene (CID 135130688) is 4,19-dichloro-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene.
What is the SMILES notation for 4,19-dichloro-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?
The canonical SMILES for 4,19-dichloro-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene is Clc1cccc2c1c1c3c4c(Cl)cccc4n(-c4ccccc4)c3ccc1n2-c1ccccc1.
What is the InChIKey of 4,19-dichloro-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?
The InChIKey is FIGSLDLHECJWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18Cl2N2/c31-21-13-7-15-23-27(21)29-25(33(23)19-9-3-1-4-10-19)17-18-26-30(29)28-22(32)14-8-16-24(28)34(26)20-11-5-2-6-12-20/h1-18H.
What are the key properties of 4,19-dichloro-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?
4,19-dichloro-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene has a molecular weight of 477.39 g/mol, XLogP of 9.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,19-dichloro-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene is sourced from PubChem (CID 135130688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).