3-phenyl-17-quinolin-2-yl-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene

C33H21N3 — CID 90223726

IUPAC3-phenyl-17-quinolin-2-yl-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccn(-c6ccc7ccccc7n6)c5ccc4c32)cc1
InChIInChI=1S/C33H21N3/c1-2-9-23(10-3-1)36-31-13-7-5-11-25(31)28-16-15-24-26-20-21-35(30(26)18-17-27(24)33(28)36)32-19-14-22-8-4-6-12-29(22)34-32/h1-21H
InChIKeyVBIUABXENRCFTH-UHFFFAOYSA-N
MW459.55 g/mol
LogP8.43
Rot. Bonds2

About 3-phenyl-17-quinolin-2-yl-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene

3-phenyl-17-quinolin-2-yl-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene (PubChem CID 90223726) has the molecular formula C33H21N3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 3-phenyl-17-quinolin-2-yl-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene.

Molecular Properties

Compound Name3-phenyl-17-quinolin-2-yl-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene
PubChem CID90223726
Molecular FormulaC33H21N3
Molecular Weight459.55 g/mol
Exact Mass459.17
IUPAC Name3-phenyl-17-quinolin-2-yl-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccn(-c6ccc7ccccc7n6)c5ccc4c32)cc1
InChIInChI=1S/C33H21N3/c1-2-9-23(10-3-1)36-31-13-7-5-11-25(31)28-16-15-24-26-20-21-35(30(26)18-17-27(24)33(28)36)32-19-14-22-8-4-6-12-29(22)34-32/h1-21H
InChIKeyVBIUABXENRCFTH-UHFFFAOYSA-N
XLogP8.43
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-phenyl-17-quinolin-2-yl-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene with MolForge

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Related Compounds

10-phenyl-18-quinolin-2-yl-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90223358
3-phenyl-10-(4-quinazolin-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 90062451
3-phenyl-10-[6-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-2-pyridinyl]pyrrolo[3,2-a]carbazole
CID 90090906
12-(3-phenylphenyl)-5-quinolin-2-ylindolo[3,2-c]carbazole
CID 170268414
5,12-di(quinolin-2-yl)indolo[3,2-c]carbazole
CID 58184804
3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 118314952
18-phenyl-10-quinolin-2-yl-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222786
3-phenyl-10-(4-pyren-1-ylphenyl)pyrrolo[3,2-a]carbazole
CID 118314953
17-phenyl-3-(4-pyridin-3-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene
CID 90223476
3-phenyl-10-[3-(4-phenylquinazolin-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 90062504
20-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene
CID 90223334
1-phenyl-10-[5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrazin-2-yl]pyrrolo[2,3-a]carbazole
CID 90090897

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-17-quinolin-2-yl-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene?
The IUPAC name of 3-phenyl-17-quinolin-2-yl-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene (CID 90223726) is 3-phenyl-17-quinolin-2-yl-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene.
What is the SMILES notation for 3-phenyl-17-quinolin-2-yl-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene?
The canonical SMILES for 3-phenyl-17-quinolin-2-yl-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene is c1ccc(-n2c3ccccc3c3ccc4c5ccn(-c6ccc7ccccc7n6)c5ccc4c32)cc1.
What is the InChIKey of 3-phenyl-17-quinolin-2-yl-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene?
The InChIKey is VBIUABXENRCFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3/c1-2-9-23(10-3-1)36-31-13-7-5-11-25(31)28-16-15-24-26-20-21-35(30(26)18-17-27(24)33(28)36)32-19-14-22-8-4-6-12-29(22)34-32/h1-21H.
What are the key properties of 3-phenyl-17-quinolin-2-yl-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene?
3-phenyl-17-quinolin-2-yl-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene has a molecular weight of 459.55 g/mol, XLogP of 8.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-17-quinolin-2-yl-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene is sourced from PubChem (CID 90223726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).