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

C33H21N3 — CID 90223358

IUPAC10-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
SMILESc1ccc(-n2c3ccccc3c3cc4cc5c(ccn5-c5ccc6ccccc6n5)cc4cc32)cc1
InChIInChI=1S/C33H21N3/c1-2-9-26(10-3-1)36-30-13-7-5-11-27(30)28-19-25-20-31-23(18-24(25)21-32(28)36)16-17-35(31)33-15-14-22-8-4-6-12-29(22)34-33/h1-21H
InChIKeyWAZHCUXRKJEFDK-UHFFFAOYSA-N
MW459.55 g/mol
LogP8.43
Rot. Bonds2

About 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

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 (PubChem CID 90223358) has the molecular formula C33H21N3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-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
PubChem CID90223358
Molecular FormulaC33H21N3
Molecular Weight459.55 g/mol
Exact Mass459.17
IUPAC Name10-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
SMILESc1ccc(-n2c3ccccc3c3cc4cc5c(ccn5-c5ccc6ccccc6n5)cc4cc32)cc1
InChIInChI=1S/C33H21N3/c1-2-9-26(10-3-1)36-30-13-7-5-11-27(30)28-19-25-20-31-23(18-24(25)21-32(28)36)16-17-35(31)33-15-14-22-8-4-6-12-29(22)34-33/h1-21H
InChIKeyWAZHCUXRKJEFDK-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 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 with MolForge

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Related Compounds

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
10-(4-carbazol-9-ylphenyl)-18-phenyl-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 90222800
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
16-(3,5-diphenylphenyl)-10-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 90223381
18-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-phenyl-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 90223402
1-phenyl-9-quinazolin-2-ylpyrrolo[2,3-b]carbazole
CID 90062529
3-phenyl-9-quinazolin-2-ylpyrrolo[3,2-b]carbazole
CID 90062396
10-phenyl-22-quinazolin-2-yl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene
CID 122465132
9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole
CID 118315081
11-(4-carbazol-9-ylphenyl)-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
CID 123940572
18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-10-phenyl-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 90223365
9-phenanthren-2-yl-1-phenylpyrrolo[2,3-b]carbazole
CID 118315026

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccccc3c3cc4cc5c(ccn5-c5ccc6ccccc6n5)cc4cc32)cc1.
What is the InChIKey of 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?
The InChIKey is WAZHCUXRKJEFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3/c1-2-9-26(10-3-1)36-30-13-7-5-11-27(30)28-19-25-20-31-23(18-24(25)21-32(28)36)16-17-35(31)33-15-14-22-8-4-6-12-29(22)34-33/h1-21H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 90223358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).