17-phenyl-9-(2-phenylpyrimidin-4-yl)-9,17-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),15,19-nonaene

C34H22N4 — CID 90223450

IUPAC17-phenyl-9-(2-phenylpyrimidin-4-yl)-9,17-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),15,19-nonaene
SMILESc1ccc(-c2nccc(-n3c4ccccc4c4c5ccc6c(ccn6-c6ccccc6)c5ccc43)n2)cc1
InChIInChI=1S/C34H22N4/c1-3-9-23(10-4-1)34-35-21-19-32(36-34)38-30-14-8-7-13-28(30)33-27-16-17-29-26(25(27)15-18-31(33)38)20-22-37(29)24-11-5-2-6-12-24/h1-22H
InChIKeyFYLXSVFGFIOVNZ-UHFFFAOYSA-N
MW486.58 g/mol
LogP8.34
Rot. Bonds3

About 17-phenyl-9-(2-phenylpyrimidin-4-yl)-9,17-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),15,19-nonaene

17-phenyl-9-(2-phenylpyrimidin-4-yl)-9,17-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),15,19-nonaene (PubChem CID 90223450) has the molecular formula C34H22N4 and a molecular weight of 486.58 g/mol. Its IUPAC name is 17-phenyl-9-(2-phenylpyrimidin-4-yl)-9,17-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),15,19-nonaene.

Molecular Properties

Compound Name17-phenyl-9-(2-phenylpyrimidin-4-yl)-9,17-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),15,19-nonaene
PubChem CID90223450
Molecular FormulaC34H22N4
Molecular Weight486.58 g/mol
Exact Mass486.18
IUPAC Name17-phenyl-9-(2-phenylpyrimidin-4-yl)-9,17-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),15,19-nonaene
SMILESc1ccc(-c2nccc(-n3c4ccccc4c4c5ccc6c(ccn6-c6ccccc6)c5ccc43)n2)cc1
InChIInChI=1S/C34H22N4/c1-3-9-23(10-4-1)34-35-21-19-32(36-34)38-30-14-8-7-13-28(30)33-27-16-17-29-26(25(27)15-18-31(33)38)20-22-37(29)24-11-5-2-6-12-24/h1-22H
InChIKeyFYLXSVFGFIOVNZ-UHFFFAOYSA-N
XLogP8.34
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 17-phenyl-9-(2-phenylpyrimidin-4-yl)-9,17-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),15,19-nonaene with MolForge

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Related Compounds

17-phenyl-9-[4-(5-phenylpyrimidin-2-yl)phenyl]-9,17-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),15,19-nonaene
CID 90223464
18-phenyl-10-(2-phenylpyrimidin-4-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 90222807
6-phenyl-3-(2-phenylpyrimidin-5-yl)pyrrolo[2,3-c]carbazole
CID 123906057
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
CID 90130563
9-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-17-phenyl-9,17-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),15,19-nonaene
CID 90223134
5-phenyl-18-(2-phenylpyrimidin-4-yl)-5,18-diazapentacyclo[13.2.1.02,6.08,17.011,16]octadeca-1(17),2(6),3,7,9,11(16),12,14-octaene
CID 144868938
3-phenyl-6-[4-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-c]carbazole
CID 118315311
3-phenyl-6-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-c]carbazole
CID 118315256
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
3-phenyl-10-[6-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-2-pyridinyl]pyrrolo[3,2-a]carbazole
CID 90090906
3-phenyl-6-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)-5-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-c]carbazole
CID 90091085
6-phenyl-20-(4-pyridin-3-yl-2-pyridinyl)-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 90222773

Frequently Asked Questions

What is the IUPAC name of 17-phenyl-9-(2-phenylpyrimidin-4-yl)-9,17-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),15,19-nonaene?
The IUPAC name of 17-phenyl-9-(2-phenylpyrimidin-4-yl)-9,17-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),15,19-nonaene (CID 90223450) is 17-phenyl-9-(2-phenylpyrimidin-4-yl)-9,17-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),15,19-nonaene.
What is the SMILES notation for 17-phenyl-9-(2-phenylpyrimidin-4-yl)-9,17-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),15,19-nonaene?
The canonical SMILES for 17-phenyl-9-(2-phenylpyrimidin-4-yl)-9,17-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),15,19-nonaene is c1ccc(-c2nccc(-n3c4ccccc4c4c5ccc6c(ccn6-c6ccccc6)c5ccc43)n2)cc1.
What is the InChIKey of 17-phenyl-9-(2-phenylpyrimidin-4-yl)-9,17-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),15,19-nonaene?
The InChIKey is FYLXSVFGFIOVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4/c1-3-9-23(10-4-1)34-35-21-19-32(36-34)38-30-14-8-7-13-28(30)33-27-16-17-29-26(25(27)15-18-31(33)38)20-22-37(29)24-11-5-2-6-12-24/h1-22H.
What are the key properties of 17-phenyl-9-(2-phenylpyrimidin-4-yl)-9,17-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),15,19-nonaene?
17-phenyl-9-(2-phenylpyrimidin-4-yl)-9,17-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),15,19-nonaene has a molecular weight of 486.58 g/mol, XLogP of 8.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 17-phenyl-9-(2-phenylpyrimidin-4-yl)-9,17-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),15,19-nonaene is sourced from PubChem (CID 90223450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).