12-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydropyrimidin-6-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

C50H33N3 — CID 145156331

IUPAC12-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydropyrimidin-6-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
SMILESC1=C(c2cccc3c(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)cccc23)NC(c2ccc3ccccc3c2)N=C1c1ccccc1
InChIInChI=1S/C50H33N3/c1-2-15-35(16-3-1)43-31-44(52-50(51-43)37-25-24-32-12-4-5-17-36(32)30-37)41-21-10-22-42-40(41)20-11-23-45(42)53-46-28-26-33-13-6-8-18-38(33)48(46)49-39-19-9-7-14-34(39)27-29-47(49)53/h1-31,50,52H
InChIKeyIXOCAZOLBXEPLM-UHFFFAOYSA-N
MW675.84 g/mol
LogP12.53
Rot. Bonds4

About 12-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydropyrimidin-6-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

12-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydropyrimidin-6-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 (PubChem CID 145156331) has the molecular formula C50H33N3 and a molecular weight of 675.84 g/mol. Its IUPAC name is 12-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydropyrimidin-6-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.

Molecular Properties

Compound Name12-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydropyrimidin-6-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
PubChem CID145156331
Molecular FormulaC50H33N3
Molecular Weight675.84 g/mol
Exact Mass675.27
IUPAC Name12-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydropyrimidin-6-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
SMILESC1=C(c2cccc3c(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)cccc23)NC(c2ccc3ccccc3c2)N=C1c1ccccc1
InChIInChI=1S/C50H33N3/c1-2-15-35(16-3-1)43-31-44(52-50(51-43)37-25-24-32-12-4-5-17-36(32)30-37)41-21-10-22-42-40(41)20-11-23-45(42)53-46-28-26-33-13-6-8-18-38(33)48(46)49-39-19-9-7-14-34(39)27-29-47(49)53/h1-31,50,52H
InChIKeyIXOCAZOLBXEPLM-UHFFFAOYSA-N
XLogP12.53
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.84
LogP ≤ 512.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 12-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydropyrimidin-6-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 with MolForge

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Related Compounds

12-[3-(4,6-dinaphthalen-2-yl-1,2-dihydropyrimidin-2-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 144942983
7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214923
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
12-[5-(2-naphthalen-2-yl-6-phenylpyrimidin-4-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 118449363
12-[2-[4-[2-phenyl-4-(6-phenylnaphthalen-2-yl)-1,2-dihydro-1,3,5-triazin-6-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 167032343
11-[9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-11,11-dimethylbenzo[a]fluoren-6-yl]benzo[a]carbazole
CID 170411403
9-[7-[4-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-2-yl]dibenzofuran-4-yl]carbazole
CID 166961182
7-[11-(4-naphthalen-2-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[c]carbazole
CID 156549130
11-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-3-phenyl-3,11-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene
CID 144605694
12-[5-[4-(3-phenylphenyl)quinazolin-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 129149842
12-[4-(4,6-diphenylpyrimidin-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 118449649
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

Frequently Asked Questions

What is the IUPAC name of 12-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydropyrimidin-6-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?
The IUPAC name of 12-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydropyrimidin-6-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 145156331) is 12-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydropyrimidin-6-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.
What is the SMILES notation for 12-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydropyrimidin-6-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?
The canonical SMILES for 12-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydropyrimidin-6-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 is C1=C(c2cccc3c(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)cccc23)NC(c2ccc3ccccc3c2)N=C1c1ccccc1.
What is the InChIKey of 12-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydropyrimidin-6-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?
The InChIKey is IXOCAZOLBXEPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3/c1-2-15-35(16-3-1)43-31-44(52-50(51-43)37-25-24-32-12-4-5-17-36(32)30-37)41-21-10-22-42-40(41)20-11-23-45(42)53-46-28-26-33-13-6-8-18-38(33)48(46)49-39-19-9-7-14-34(39)27-29-47(49)53/h1-31,50,52H.
What are the key properties of 12-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydropyrimidin-6-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?
12-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydropyrimidin-6-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 has a molecular weight of 675.84 g/mol, XLogP of 12.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydropyrimidin-6-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 is sourced from PubChem (CID 145156331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).