16-[4-(4-carbazol-9-ylphenyl)-6-naphthalen-1-ylpyrimidin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene

C55H32N4O2 — CID 177085743

IUPAC16-[4-(4-carbazol-9-ylphenyl)-6-naphthalen-1-ylpyrimidin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
SMILESc1ccc(-c2nc3ccc4oc5ccc6c(-c7nc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc(-c8cccc9ccccc89)n7)cccc6c5c4c3o2)cc1
InChIInChI=1S/C55H32N4O2/c1-2-13-35(14-3-1)55-58-44-29-31-50-52(53(44)61-55)51-42-20-11-21-43(38(42)28-30-49(51)60-50)54-56-45(32-46(57-54)39-19-10-15-33-12-4-5-16-37(33)39)34-24-26-36(27-25-34)59-47-22-8-6-17-40(47)41-18-7-9-23-48(41)59/h1-32H
InChIKeyQPYMDQGWKGNCKE-UHFFFAOYSA-N
MW780.89 g/mol
LogP14.59
Rot. Bonds5

About 16-[4-(4-carbazol-9-ylphenyl)-6-naphthalen-1-ylpyrimidin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene

16-[4-(4-carbazol-9-ylphenyl)-6-naphthalen-1-ylpyrimidin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene (PubChem CID 177085743) has the molecular formula C55H32N4O2 and a molecular weight of 780.89 g/mol. Its IUPAC name is 16-[4-(4-carbazol-9-ylphenyl)-6-naphthalen-1-ylpyrimidin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene.

Molecular Properties

Compound Name16-[4-(4-carbazol-9-ylphenyl)-6-naphthalen-1-ylpyrimidin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
PubChem CID177085743
Molecular FormulaC55H32N4O2
Molecular Weight780.89 g/mol
Exact Mass780.25
IUPAC Name16-[4-(4-carbazol-9-ylphenyl)-6-naphthalen-1-ylpyrimidin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
SMILESc1ccc(-c2nc3ccc4oc5ccc6c(-c7nc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc(-c8cccc9ccccc89)n7)cccc6c5c4c3o2)cc1
InChIInChI=1S/C55H32N4O2/c1-2-13-35(14-3-1)55-58-44-29-31-50-52(53(44)61-55)51-42-20-11-21-43(38(42)28-30-49(51)60-50)54-56-45(32-46(57-54)39-19-10-15-33-12-4-5-16-37(33)39)34-24-26-36(27-25-34)59-47-22-8-6-17-40(47)41-18-7-9-23-48(41)59/h1-32H
InChIKeyQPYMDQGWKGNCKE-UHFFFAOYSA-N
XLogP14.59
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.89
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 16-[4-(4-carbazol-9-ylphenyl)-6-naphthalen-1-ylpyrimidin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene with MolForge

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Related Compounds

9-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764453
16-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
CID 177086048
18-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaene
CID 176631266
18-[4-(3-carbazol-9-ylphenyl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenyl-4-oxa-11-thia-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
CID 177085695
18-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
CID 177085851
16-(4-dibenzofuran-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
CID 177085791
9-[4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazole
CID 157066444
6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole
CID 159794158
2-phenyl-7-[4-(9-phenylcarbazol-2-yl)-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 170681615
12-[4-[3-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-11-phenylindolo[2,3-a]carbazole
CID 155240392
6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole
CID 118228651
7-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 176756155

Frequently Asked Questions

What is the IUPAC name of 16-[4-(4-carbazol-9-ylphenyl)-6-naphthalen-1-ylpyrimidin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene?
The IUPAC name of 16-[4-(4-carbazol-9-ylphenyl)-6-naphthalen-1-ylpyrimidin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene (CID 177085743) is 16-[4-(4-carbazol-9-ylphenyl)-6-naphthalen-1-ylpyrimidin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene.
What is the SMILES notation for 16-[4-(4-carbazol-9-ylphenyl)-6-naphthalen-1-ylpyrimidin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene?
The canonical SMILES for 16-[4-(4-carbazol-9-ylphenyl)-6-naphthalen-1-ylpyrimidin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene is c1ccc(-c2nc3ccc4oc5ccc6c(-c7nc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc(-c8cccc9ccccc89)n7)cccc6c5c4c3o2)cc1.
What is the InChIKey of 16-[4-(4-carbazol-9-ylphenyl)-6-naphthalen-1-ylpyrimidin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene?
The InChIKey is QPYMDQGWKGNCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4O2/c1-2-13-35(14-3-1)55-58-44-29-31-50-52(53(44)61-55)51-42-20-11-21-43(38(42)28-30-49(51)60-50)54-56-45(32-46(57-54)39-19-10-15-33-12-4-5-16-37(33)39)34-24-26-36(27-25-34)59-47-22-8-6-17-40(47)41-18-7-9-23-48(41)59/h1-32H.
What are the key properties of 16-[4-(4-carbazol-9-ylphenyl)-6-naphthalen-1-ylpyrimidin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene?
16-[4-(4-carbazol-9-ylphenyl)-6-naphthalen-1-ylpyrimidin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene has a molecular weight of 780.89 g/mol, XLogP of 14.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[4-(4-carbazol-9-ylphenyl)-6-naphthalen-1-ylpyrimidin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene is sourced from PubChem (CID 177085743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).