7-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole;7-(2,6-diphenylpyrimidin-4-yl)-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole

C90H58N6 — CID 159963707

IUPAC7-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole;7-(2,6-diphenylpyrimidin-4-yl)-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c5ccc(-c6cccc7ccccc67)cc5ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3cc(-c4ccc5ccc6c(c5c4)c4ccccc4n6-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c2)cc1
InChIInChI=1S/C48H31N3.C42H27N3/c1-4-12-32(13-5-1)36-22-23-38-29-39(25-24-37(38)28-36)40-21-20-33-26-27-45-47(42(33)30-40)41-18-10-11-19-44(41)51(45)46-31-43(34-14-6-2-7-15-34)49-48(50-46)35-16-8-3-9-17-35;1-3-13-29(14-4-1)37-27-40(44-42(43-37)30-15-5-2-6-16-30)45-38-21-10-9-19-36(38)41-35-24-22-31(26-32(35)23-25-39(41)45)34-20-11-17-28-12-7-8-18-33(28)34/h1-31H;1-27H
InChIKeyODQQVPBMUVUZFD-UHFFFAOYSA-N
MW1223.50 g/mol
LogP23.43
Rot. Bonds9

About 7-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole;7-(2,6-diphenylpyrimidin-4-yl)-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole

7-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole;7-(2,6-diphenylpyrimidin-4-yl)-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole (PubChem CID 159963707) has the molecular formula C90H58N6 and a molecular weight of 1223.50 g/mol. Its IUPAC name is 7-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole;7-(2,6-diphenylpyrimidin-4-yl)-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name7-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole;7-(2,6-diphenylpyrimidin-4-yl)-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole
PubChem CID159963707
Molecular FormulaC90H58N6
Molecular Weight1223.50 g/mol
Exact Mass1222.47
IUPAC Name7-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole;7-(2,6-diphenylpyrimidin-4-yl)-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c5ccc(-c6cccc7ccccc67)cc5ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3cc(-c4ccc5ccc6c(c5c4)c4ccccc4n6-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c2)cc1
InChIInChI=1S/C48H31N3.C42H27N3/c1-4-12-32(13-5-1)36-22-23-38-29-39(25-24-37(38)28-36)40-21-20-33-26-27-45-47(42(33)30-40)41-18-10-11-19-44(41)51(45)46-31-43(34-14-6-2-7-15-34)49-48(50-46)35-16-8-3-9-17-35;1-3-13-29(14-4-1)37-27-40(44-42(43-37)30-15-5-2-6-16-30)45-38-21-10-9-19-36(38)41-35-24-22-31(26-32(35)23-25-39(41)45)34-20-11-17-28-12-7-8-18-33(28)34/h1-31H;1-27H
InChIKeyODQQVPBMUVUZFD-UHFFFAOYSA-N
XLogP23.43
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001223.50
LogP ≤ 523.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole;7-(2,6-diphenylpyrimidin-4-yl)-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole with MolForge

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Related Compounds

7-(2,6-diphenylpyrimidin-4-yl)-3-phenanthren-2-ylbenzo[c]carbazole
CID 130350785
7-(2,6-diphenylpyrimidin-4-yl)-2-phenanthren-9-ylbenzo[c]carbazole
CID 131979584
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130351461
22-(2,6-diphenylpyrimidin-4-yl)-22-azahexacyclo[12.11.0.02,11.05,10.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 145105436
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(7-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130351208
3-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351343
9-naphthalen-1-yl-7-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[c]carbazole
CID 167031844
2-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351342
7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(7-naphthalen-2-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130350827
23-(2,6-diphenylpyrimidin-4-yl)-19-(4-methylphenyl)-5-naphthalen-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 121340736
9-(2-naphthalen-1-yl-6-phenylpyrimidin-4-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140937249
9-(2,6-diphenylpyrimidin-4-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 121385468

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole;7-(2,6-diphenylpyrimidin-4-yl)-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole?
The IUPAC name of 7-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole;7-(2,6-diphenylpyrimidin-4-yl)-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole (CID 159963707) is 7-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole;7-(2,6-diphenylpyrimidin-4-yl)-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole.
What is the SMILES notation for 7-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole;7-(2,6-diphenylpyrimidin-4-yl)-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole?
The canonical SMILES for 7-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole;7-(2,6-diphenylpyrimidin-4-yl)-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4c5ccc(-c6cccc7ccccc67)cc5ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3cc(-c4ccc5ccc6c(c5c4)c4ccccc4n6-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c2)cc1.
What is the InChIKey of 7-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole;7-(2,6-diphenylpyrimidin-4-yl)-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole?
The InChIKey is ODQQVPBMUVUZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3.C42H27N3/c1-4-12-32(13-5-1)36-22-23-38-29-39(25-24-37(38)28-36)40-21-20-33-26-27-45-47(42(33)30-40)41-18-10-11-19-44(41)51(45)46-31-43(34-14-6-2-7-15-34)49-48(50-46)35-16-8-3-9-17-35;1-3-13-29(14-4-1)37-27-40(44-42(43-37)30-15-5-2-6-16-30)45-38-21-10-9-19-36(38)41-35-24-22-31(26-32(35)23-25-39(41)45)34-20-11-17-28-12-7-8-18-33(28)34/h1-31H;1-27H.
What are the key properties of 7-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole;7-(2,6-diphenylpyrimidin-4-yl)-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole?
7-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole;7-(2,6-diphenylpyrimidin-4-yl)-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole has a molecular weight of 1223.50 g/mol, XLogP of 23.43, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole;7-(2,6-diphenylpyrimidin-4-yl)-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole is sourced from PubChem (CID 159963707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).