8-carbazol-9-yl-2-(1-carbazol-9-ylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine

C44H26N4O — CID 177271456

IUPAC8-carbazol-9-yl-2-(1-carbazol-9-ylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2c(-n3c4ccccc4c4ccccc43)c(-c3ncc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4n3)ccc2c1
InChIInChI=1S/C44H26N4O/c1-2-12-29-27(11-1)21-23-34(43(29)48-38-19-9-5-15-32(38)33-16-6-10-20-39(33)48)44-45-26-41-42(46-44)35-25-28(22-24-40(35)49-41)47-36-17-7-3-13-30(36)31-14-4-8-18-37(31)47/h1-26H
InChIKeyWTZHUEHHKCNXJO-UHFFFAOYSA-N
MW626.72 g/mol
LogP11.39
Rot. Bonds3

About 8-carbazol-9-yl-2-(1-carbazol-9-ylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine

8-carbazol-9-yl-2-(1-carbazol-9-ylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 177271456) has the molecular formula C44H26N4O and a molecular weight of 626.72 g/mol. Its IUPAC name is 8-carbazol-9-yl-2-(1-carbazol-9-ylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name8-carbazol-9-yl-2-(1-carbazol-9-ylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID177271456
Molecular FormulaC44H26N4O
Molecular Weight626.72 g/mol
Exact Mass626.21
IUPAC Name8-carbazol-9-yl-2-(1-carbazol-9-ylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2c(-n3c4ccccc4c4ccccc43)c(-c3ncc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4n3)ccc2c1
InChIInChI=1S/C44H26N4O/c1-2-12-29-27(11-1)21-23-34(43(29)48-38-19-9-5-15-32(38)33-16-6-10-20-39(33)48)44-45-26-41-42(46-44)35-25-28(22-24-40(35)49-41)47-36-17-7-3-13-30(36)31-14-4-8-18-37(31)47/h1-26H
InChIKeyWTZHUEHHKCNXJO-UHFFFAOYSA-N
XLogP11.39
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.72
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-carbazol-9-yl-2-[2-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 177271531
5-[2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 166915274
9-[4-(8-carbazol-9-yldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 89433730
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
9-(16-naphthalen-2-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)carbazole
CID 59147212
8-benzo[b]carbazol-5-yl-2,4-dinaphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 134393744
8-carbazol-9-yl-2,4-di(triphenylen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 134394241
5-(16-pyrido[3,2-b]indol-5-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)pyrido[3,2-b]indole
CID 59147166
9-[16-(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 59147197
2,8-di(carbazol-9-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 134394265
5-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 146491412
9-(16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147402

Frequently Asked Questions

What is the IUPAC name of 8-carbazol-9-yl-2-(1-carbazol-9-ylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 8-carbazol-9-yl-2-(1-carbazol-9-ylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine (CID 177271456) is 8-carbazol-9-yl-2-(1-carbazol-9-ylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 8-carbazol-9-yl-2-(1-carbazol-9-ylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 8-carbazol-9-yl-2-(1-carbazol-9-ylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine is c1ccc2c(-n3c4ccccc4c4ccccc43)c(-c3ncc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4n3)ccc2c1.
What is the InChIKey of 8-carbazol-9-yl-2-(1-carbazol-9-ylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is WTZHUEHHKCNXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O/c1-2-12-29-27(11-1)21-23-34(43(29)48-38-19-9-5-15-32(38)33-16-6-10-20-39(33)48)44-45-26-41-42(46-44)35-25-28(22-24-40(35)49-41)47-36-17-7-3-13-30(36)31-14-4-8-18-37(31)47/h1-26H.
What are the key properties of 8-carbazol-9-yl-2-(1-carbazol-9-ylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
8-carbazol-9-yl-2-(1-carbazol-9-ylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 626.72 g/mol, XLogP of 11.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-carbazol-9-yl-2-(1-carbazol-9-ylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 177271456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).