12-[2-(2-chlorophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C32H20ClN — CID 170664600

IUPAC12-[2-(2-chlorophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESClc1ccccc1-c1ccccc1-n1c2ccc3ccccc3c2c2c3ccccc3ccc21
InChIInChI=1S/C32H20ClN/c33-27-15-7-5-13-25(27)26-14-6-8-16-28(26)34-29-19-17-21-9-1-3-11-23(21)31(29)32-24-12-4-2-10-22(24)18-20-30(32)34/h1-20H
InChIKeyGBRYLIGXOBHJEK-UHFFFAOYSA-N
MW453.97 g/mol
LogP9.41
Rot. Bonds2

About 12-[2-(2-chlorophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

12-[2-(2-chlorophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 170664600) has the molecular formula C32H20ClN and a molecular weight of 453.97 g/mol. Its IUPAC name is 12-[2-(2-chlorophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

Compound Name12-[2-(2-chlorophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
PubChem CID170664600
Molecular FormulaC32H20ClN
Molecular Weight453.97 g/mol
Exact Mass453.13
IUPAC Name12-[2-(2-chlorophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESClc1ccccc1-c1ccccc1-n1c2ccc3ccccc3c2c2c3ccccc3ccc21
InChIInChI=1S/C32H20ClN/c33-27-15-7-5-13-25(27)26-14-6-8-16-28(26)34-29-19-17-21-9-1-3-11-23(21)31(29)32-24-12-4-2-10-22(24)18-20-30(32)34/h1-20H
InChIKeyGBRYLIGXOBHJEK-UHFFFAOYSA-N
XLogP9.41
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.97
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 12-[2-(2-chlorophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene with MolForge

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Related Compounds

9-(2-chlorophenyl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 177100175
12-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 59103404
3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)benzene-1,2-dicarbonitrile
CID 121329042
N-[4-[2-(11-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 177100968
N-[4-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 167322316
9-[2-(2-chlorophenyl)phenyl]-1-fluorocarbazole
CID 163919842
9-[2-(10-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)phenyl]carbazole
CID 121287690
7-(2-iodophenyl)benzo[c]carbazole
CID 165179715
2,7-dinaphthalen-1-ylbenzo[c]carbazole
CID 130351339
12-[2-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 167031823
12-[5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 122550981
N-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166897163

Frequently Asked Questions

What is the IUPAC name of 12-[2-(2-chlorophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The IUPAC name of 12-[2-(2-chlorophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 170664600) is 12-[2-(2-chlorophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.
What is the SMILES notation for 12-[2-(2-chlorophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The canonical SMILES for 12-[2-(2-chlorophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is Clc1ccccc1-c1ccccc1-n1c2ccc3ccccc3c2c2c3ccccc3ccc21.
What is the InChIKey of 12-[2-(2-chlorophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The InChIKey is GBRYLIGXOBHJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20ClN/c33-27-15-7-5-13-25(27)26-14-6-8-16-28(26)34-29-19-17-21-9-1-3-11-23(21)31(29)32-24-12-4-2-10-22(24)18-20-30(32)34/h1-20H.
What are the key properties of 12-[2-(2-chlorophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
12-[2-(2-chlorophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 453.97 g/mol, XLogP of 9.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[2-(2-chlorophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 170664600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).