2-(8-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-6-yl)-5-phenylpyrimido[5,4-b]indole;N,N-diphenyl-6-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;N,N-diphenyl-6-(5-phenylpyrimido[5,4-b]indol-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine

C181H113N15O4S — CID 167565179

IUPAC2-(8-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-6-yl)-5-phenylpyrimido[5,4-b]indole;N,N-diphenyl-6-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;N,N-diphenyl-6-(5-phenylpyrimido[5,4-b]indol-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc(-c2nc(-c3cc4ccccc4c4oc5ccc(N(c6ccccc6)c6ccccc6)cc5c34)nc3c2sc2ccccc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc5ccccc5c5oc6ccc(N(c7ccccc7)c7ccccc7)cc6c45)c3)n2)cc1.c1ccc(-n2c3ccccc3c3nc(-c4cc5ccccc5c5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c45)ncc32)cc1.c1ccc(N(c2ccccc2)c2ccc3oc4c5ccccc5cc(-c5ncc6c(n5)c5ccccc5n6-c5ccccc5)c4c3c2)cc1
InChIInChI=1S/C49H32N4O.C44H26N4O.C44H28N4O.C44H27N3OS/c1-5-16-33(17-6-1)47-50-48(34-18-7-2-8-19-34)52-49(51-47)37-22-15-21-35(30-37)42-31-36-20-13-14-27-41(36)46-45(42)43-32-40(28-29-44(43)54-46)53(38-23-9-3-10-24-38)39-25-11-4-12-26-39;1-2-13-28(14-3-1)47-38-21-11-8-18-33(38)42-39(47)26-45-44(46-42)35-24-27-12-4-5-15-30(27)43-41(35)34-25-29(22-23-40(34)49-43)48-36-19-9-6-16-31(36)32-17-7-10-20-37(32)48;1-4-15-30(16-5-1)47(31-17-6-2-7-18-31)33-24-25-40-36(27-33)41-37(26-29-14-10-11-21-34(29)43(41)49-40)44-45-28-39-42(46-44)35-22-12-13-23-38(35)48(39)32-19-8-3-9-20-32;1-4-14-28(15-5-1)40-43-41(34-22-12-13-23-38(34)49-43)46-44(45-40)36-26-29-16-10-11-21-33(29)42-39(36)35-27-32(24-25-37(35)48-42)47(30-17-6-2-7-18-30)31-19-8-3-9-20-31/h1-32H;1-26H;1-28H;1-27H
InChIKeyFEMFFJNPWAAILN-UHFFFAOYSA-N
MW2594.06 g/mol
LogP48.92
Rot. Bonds20

About 2-(8-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-6-yl)-5-phenylpyrimido[5,4-b]indole;N,N-diphenyl-6-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;N,N-diphenyl-6-(5-phenylpyrimido[5,4-b]indol-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine

2-(8-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-6-yl)-5-phenylpyrimido[5,4-b]indole;N,N-diphenyl-6-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;N,N-diphenyl-6-(5-phenylpyrimido[5,4-b]indol-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine (PubChem CID 167565179) has the molecular formula C181H113N15O4S and a molecular weight of 2594.06 g/mol. Its IUPAC name is 2-(8-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-6-yl)-5-phenylpyrimido[5,4-b]indole;N,N-diphenyl-6-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;N,N-diphenyl-6-(5-phenylpyrimido[5,4-b]indol-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine.

Molecular Properties

Compound Name2-(8-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-6-yl)-5-phenylpyrimido[5,4-b]indole;N,N-diphenyl-6-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;N,N-diphenyl-6-(5-phenylpyrimido[5,4-b]indol-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine
PubChem CID167565179
Molecular FormulaC181H113N15O4S
Molecular Weight2594.06 g/mol
Exact Mass2591.88
IUPAC Name2-(8-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-6-yl)-5-phenylpyrimido[5,4-b]indole;N,N-diphenyl-6-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;N,N-diphenyl-6-(5-phenylpyrimido[5,4-b]indol-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc(-c2nc(-c3cc4ccccc4c4oc5ccc(N(c6ccccc6)c6ccccc6)cc5c34)nc3c2sc2ccccc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc5ccccc5c5oc6ccc(N(c7ccccc7)c7ccccc7)cc6c45)c3)n2)cc1.c1ccc(-n2c3ccccc3c3nc(-c4cc5ccccc5c5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c45)ncc32)cc1.c1ccc(N(c2ccccc2)c2ccc3oc4c5ccccc5cc(-c5ncc6c(n5)c5ccccc5n6-c5ccccc5)c4c3c2)cc1
InChIInChI=1S/C49H32N4O.C44H26N4O.C44H28N4O.C44H27N3OS/c1-5-16-33(17-6-1)47-50-48(34-18-7-2-8-19-34)52-49(51-47)37-22-15-21-35(30-37)42-31-36-20-13-14-27-41(36)46-45(42)43-32-40(28-29-44(43)54-46)53(38-23-9-3-10-24-38)39-25-11-4-12-26-39;1-2-13-28(14-3-1)47-38-21-11-8-18-33(38)42-39(47)26-45-44(46-42)35-24-27-12-4-5-15-30(27)43-41(35)34-25-29(22-23-40(34)49-43)48-36-19-9-6-16-31(36)32-17-7-10-20-37(32)48;1-4-15-30(16-5-1)47(31-17-6-2-7-18-31)33-24-25-40-36(27-33)41-37(26-29-14-10-11-21-34(29)43(41)49-40)44-45-28-39-42(46-44)35-22-12-13-23-38(35)48(39)32-19-8-3-9-20-32;1-4-14-28(15-5-1)40-43-41(34-22-12-13-23-38(34)49-43)46-44(45-40)36-26-29-16-10-11-21-33(29)42-39(36)35-27-32(24-25-37(35)48-42)47(30-17-6-2-7-18-30)31-19-8-3-9-20-31/h1-32H;1-26H;1-28H;1-27H
InChIKeyFEMFFJNPWAAILN-UHFFFAOYSA-N
XLogP48.92
TPSA193.08 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002594.06
LogP ≤ 548.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2-(8-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-6-yl)-5-phenylpyrimido[5,4-b]indole;N,N-diphenyl-6-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;N,N-diphenyl-6-(5-phenylpyrimido[5,4-b]indol-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine with MolForge

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Related Compounds

6-(4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 167543413
4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 153309495
2-[7-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978299
2-[7-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978273
4-dibenzofuran-2-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 158955259
4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 142592805
2-(3-carbazol-9-ylphenyl)-4-[3-(8-phenylnaphthalen-1-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 177283104
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;9-[4-phenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 159968562
4-[2-[3,5-di(carbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidin-4-yl]-N,N-diphenylaniline
CID 164829306
3-[9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 158820483
2-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978263
4-dibenzofuran-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 160619996

Frequently Asked Questions

What is the IUPAC name of 2-(8-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-6-yl)-5-phenylpyrimido[5,4-b]indole;N,N-diphenyl-6-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;N,N-diphenyl-6-(5-phenylpyrimido[5,4-b]indol-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine?
The IUPAC name of 2-(8-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-6-yl)-5-phenylpyrimido[5,4-b]indole;N,N-diphenyl-6-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;N,N-diphenyl-6-(5-phenylpyrimido[5,4-b]indol-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine (CID 167565179) is 2-(8-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-6-yl)-5-phenylpyrimido[5,4-b]indole;N,N-diphenyl-6-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;N,N-diphenyl-6-(5-phenylpyrimido[5,4-b]indol-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine.
What is the SMILES notation for 2-(8-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-6-yl)-5-phenylpyrimido[5,4-b]indole;N,N-diphenyl-6-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;N,N-diphenyl-6-(5-phenylpyrimido[5,4-b]indol-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine?
The canonical SMILES for 2-(8-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-6-yl)-5-phenylpyrimido[5,4-b]indole;N,N-diphenyl-6-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;N,N-diphenyl-6-(5-phenylpyrimido[5,4-b]indol-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine is c1ccc(-c2nc(-c3cc4ccccc4c4oc5ccc(N(c6ccccc6)c6ccccc6)cc5c34)nc3c2sc2ccccc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc5ccccc5c5oc6ccc(N(c7ccccc7)c7ccccc7)cc6c45)c3)n2)cc1.c1ccc(-n2c3ccccc3c3nc(-c4cc5ccccc5c5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c45)ncc32)cc1.c1ccc(N(c2ccccc2)c2ccc3oc4c5ccccc5cc(-c5ncc6c(n5)c5ccccc5n6-c5ccccc5)c4c3c2)cc1.
What is the InChIKey of 2-(8-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-6-yl)-5-phenylpyrimido[5,4-b]indole;N,N-diphenyl-6-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;N,N-diphenyl-6-(5-phenylpyrimido[5,4-b]indol-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine?
The InChIKey is FEMFFJNPWAAILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4O.C44H26N4O.C44H28N4O.C44H27N3OS/c1-5-16-33(17-6-1)47-50-48(34-18-7-2-8-19-34)52-49(51-47)37-22-15-21-35(30-37)42-31-36-20-13-14-27-41(36)46-45(42)43-32-40(28-29-44(43)54-46)53(38-23-9-3-10-24-38)39-25-11-4-12-26-39;1-2-13-28(14-3-1)47-38-21-11-8-18-33(38)42-39(47)26-45-44(46-42)35-24-27-12-4-5-15-30(27)43-41(35)34-25-29(22-23-40(34)49-43)48-36-19-9-6-16-31(36)32-17-7-10-20-37(32)48;1-4-15-30(16-5-1)47(31-17-6-2-7-18-31)33-24-25-40-36(27-33)41-37(26-29-14-10-11-21-34(29)43(41)49-40)44-45-28-39-42(46-44)35-22-12-13-23-38(35)48(39)32-19-8-3-9-20-32;1-4-14-28(15-5-1)40-43-41(34-22-12-13-23-38(34)49-43)46-44(45-40)36-26-29-16-10-11-21-33(29)42-39(36)35-27-32(24-25-37(35)48-42)47(30-17-6-2-7-18-30)31-19-8-3-9-20-31/h1-32H;1-26H;1-28H;1-27H.
What are the key properties of 2-(8-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-6-yl)-5-phenylpyrimido[5,4-b]indole;N,N-diphenyl-6-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;N,N-diphenyl-6-(5-phenylpyrimido[5,4-b]indol-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine?
2-(8-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-6-yl)-5-phenylpyrimido[5,4-b]indole;N,N-diphenyl-6-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;N,N-diphenyl-6-(5-phenylpyrimido[5,4-b]indol-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine has a molecular weight of 2594.06 g/mol, XLogP of 48.92, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-6-yl)-5-phenylpyrimido[5,4-b]indole;N,N-diphenyl-6-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;N,N-diphenyl-6-(5-phenylpyrimido[5,4-b]indol-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine is sourced from PubChem (CID 167565179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).