11-(4,6-diphenylpyrimidin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole

C48H29N3O — CID 142571640

IUPAC11-(4,6-diphenylpyrimidin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4c(-c5cccc6c5oc5ccc7ccccc7c56)cccc4c4ccc5ccccc5c43)n2)cc1
InChIInChI=1S/C48H29N3O/c1-3-15-32(16-4-1)41-29-42(33-17-5-2-6-18-33)50-48(49-41)51-45-35-20-10-8-14-31(35)25-27-38(45)36-21-11-22-37(46(36)51)39-23-12-24-40-44-34-19-9-7-13-30(34)26-28-43(44)52-47(39)40/h1-29H
InChIKeyIKURPRCAQDQQFJ-UHFFFAOYSA-N
MW663.78 g/mol
LogP12.78
Rot. Bonds4

About 11-(4,6-diphenylpyrimidin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole

11-(4,6-diphenylpyrimidin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole (PubChem CID 142571640) has the molecular formula C48H29N3O and a molecular weight of 663.78 g/mol. Its IUPAC name is 11-(4,6-diphenylpyrimidin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole.

Molecular Properties

Compound Name11-(4,6-diphenylpyrimidin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole
PubChem CID142571640
Molecular FormulaC48H29N3O
Molecular Weight663.78 g/mol
Exact Mass663.23
IUPAC Name11-(4,6-diphenylpyrimidin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4c(-c5cccc6c5oc5ccc7ccccc7c56)cccc4c4ccc5ccccc5c43)n2)cc1
InChIInChI=1S/C48H29N3O/c1-3-15-32(16-4-1)41-29-42(33-17-5-2-6-18-33)50-48(49-41)51-45-35-20-10-8-14-31(35)25-27-38(45)36-21-11-22-37(46(36)51)39-23-12-24-40-44-34-19-9-7-13-30(34)26-28-43(44)52-47(39)40/h1-29H
InChIKeyIKURPRCAQDQQFJ-UHFFFAOYSA-N
XLogP12.78
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole
CID 142570407
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole;ethane
CID 142571552
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-8-ylbenzo[b]carbazole
CID 142569825
2-(1-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline
CID 142569844
4-naphtho[2,1-b][1]benzofuran-8-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142571530
10-naphtho[2,1-b][1]benzofuran-9-yl-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142570112
8-dibenzofuran-3-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
CID 142570283
10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142568640
12-[8-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 155382762
10-(4,6-diphenylpyrimidin-2-yl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene;11-[4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-7-yl)phenyl]benzo[a]carbazole;9-[4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-7-yl)phenyl]carbazole
CID 158864977
18-(4,6-diphenylpyrimidin-2-yl)-14-oxa-18-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene
CID 122595484
10-dibenzofuran-1-yl-11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole
CID 142569857

Frequently Asked Questions

What is the IUPAC name of 11-(4,6-diphenylpyrimidin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole?
The IUPAC name of 11-(4,6-diphenylpyrimidin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole (CID 142571640) is 11-(4,6-diphenylpyrimidin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole.
What is the SMILES notation for 11-(4,6-diphenylpyrimidin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole?
The canonical SMILES for 11-(4,6-diphenylpyrimidin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4c(-c5cccc6c5oc5ccc7ccccc7c56)cccc4c4ccc5ccccc5c43)n2)cc1.
What is the InChIKey of 11-(4,6-diphenylpyrimidin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole?
The InChIKey is IKURPRCAQDQQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3O/c1-3-15-32(16-4-1)41-29-42(33-17-5-2-6-18-33)50-48(49-41)51-45-35-20-10-8-14-31(35)25-27-38(45)36-21-11-22-37(46(36)51)39-23-12-24-40-44-34-19-9-7-13-30(34)26-28-43(44)52-47(39)40/h1-29H.
What are the key properties of 11-(4,6-diphenylpyrimidin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole?
11-(4,6-diphenylpyrimidin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole has a molecular weight of 663.78 g/mol, XLogP of 12.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4,6-diphenylpyrimidin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole is sourced from PubChem (CID 142571640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).