N-dibenzofuran-2-yl-N-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine;N-dibenzofuran-4-yl-N-naphthalen-1-yl-6-(9-pyridin-3-ylcarbazol-3-yl)pyridin-3-amine;N-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-phenyl-N-[4-(9-pyridin-4-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine

C177H115N13O2S2 — CID 158224179

IUPACN-dibenzofuran-2-yl-N-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine;N-dibenzofuran-4-yl-N-naphthalen-1-yl-6-(9-pyridin-3-ylcarbazol-3-yl)pyridin-3-amine;N-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-phenyl-N-[4-(9-pyridin-4-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc3)c3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6oc7ccccc7c6c5)c5cccc6ccccc56)cn4)ccc32)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccncc3)cc2)c2ccc3sc4ccccc4c3c2)cc1.c1cncc(-n2c3ccccc3c3cc(-c4ccc(N(c5cccc6ccccc56)c5cccc6c5oc5ccccc56)cn4)ccc32)c1
InChIInChI=1S/C47H31N3S.C45H29N3O.C44H28N4O.C41H27N3S/c1-3-11-32(12-4-1)33-19-22-36(23-20-33)49(37-25-28-47-42(30-37)40-16-8-10-18-46(40)51-47)38-24-26-43(48-31-38)34-21-27-45-41(29-34)39-15-7-9-17-44(39)50(45)35-13-5-2-6-14-35;1-2-13-32(14-3-1)48-42-18-8-6-16-36(42)38-27-31(21-25-43(38)48)40-24-22-34(29-46-40)47(41-19-10-12-30-11-4-5-15-35(30)41)33-23-26-45-39(28-33)37-17-7-9-20-44(37)49-45;1-2-13-33-29(10-1)11-7-18-39(33)48(42-19-8-16-36-35-15-4-6-20-43(35)49-44(36)42)32-22-23-38(46-28-32)30-21-24-41-37(26-30)34-14-3-5-17-40(34)47(41)31-12-9-25-45-27-31;1-2-8-30(9-3-1)43(33-19-21-41-37(27-33)35-11-5-7-13-40(35)45-41)31-17-14-28(15-18-31)29-16-20-39-36(26-29)34-10-4-6-12-38(34)44(39)32-22-24-42-25-23-32/h1-31H;1-29H;1-28H;1-27H
InChIKeyGDPGNINYAIUVBK-UHFFFAOYSA-N
MW2520.09 g/mol
LogP49.17
Rot. Bonds21

About N-dibenzofuran-2-yl-N-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine;N-dibenzofuran-4-yl-N-naphthalen-1-yl-6-(9-pyridin-3-ylcarbazol-3-yl)pyridin-3-amine;N-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-phenyl-N-[4-(9-pyridin-4-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine

N-dibenzofuran-2-yl-N-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine;N-dibenzofuran-4-yl-N-naphthalen-1-yl-6-(9-pyridin-3-ylcarbazol-3-yl)pyridin-3-amine;N-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-phenyl-N-[4-(9-pyridin-4-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine (PubChem CID 158224179) has the molecular formula C177H115N13O2S2 and a molecular weight of 2520.09 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine;N-dibenzofuran-4-yl-N-naphthalen-1-yl-6-(9-pyridin-3-ylcarbazol-3-yl)pyridin-3-amine;N-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-phenyl-N-[4-(9-pyridin-4-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine;N-dibenzofuran-4-yl-N-naphthalen-1-yl-6-(9-pyridin-3-ylcarbazol-3-yl)pyridin-3-amine;N-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-phenyl-N-[4-(9-pyridin-4-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
PubChem CID158224179
Molecular FormulaC177H115N13O2S2
Molecular Weight2520.09 g/mol
Exact Mass2517.87
IUPAC NameN-dibenzofuran-2-yl-N-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine;N-dibenzofuran-4-yl-N-naphthalen-1-yl-6-(9-pyridin-3-ylcarbazol-3-yl)pyridin-3-amine;N-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-phenyl-N-[4-(9-pyridin-4-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc3)c3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6oc7ccccc7c6c5)c5cccc6ccccc56)cn4)ccc32)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccncc3)cc2)c2ccc3sc4ccccc4c3c2)cc1.c1cncc(-n2c3ccccc3c3cc(-c4ccc(N(c5cccc6ccccc56)c5cccc6c5oc5ccccc56)cn4)ccc32)c1
InChIInChI=1S/C47H31N3S.C45H29N3O.C44H28N4O.C41H27N3S/c1-3-11-32(12-4-1)33-19-22-36(23-20-33)49(37-25-28-47-42(30-37)40-16-8-10-18-46(40)51-47)38-24-26-43(48-31-38)34-21-27-45-41(29-34)39-15-7-9-17-44(39)50(45)35-13-5-2-6-14-35;1-2-13-32(14-3-1)48-42-18-8-6-16-36(42)38-27-31(21-25-43(38)48)40-24-22-34(29-46-40)47(41-19-10-12-30-11-4-5-15-35(30)41)33-23-26-45-39(28-33)37-17-7-9-20-44(37)49-45;1-2-13-33-29(10-1)11-7-18-39(33)48(42-19-8-16-36-35-15-4-6-20-43(35)49-44(36)42)32-22-23-38(46-28-32)30-21-24-41-37(26-30)34-14-3-5-17-40(34)47(41)31-12-9-25-45-27-31;1-2-8-30(9-3-1)43(33-19-21-41-37(27-33)35-11-5-7-13-40(35)45-41)31-17-14-28(15-18-31)29-16-20-39-36(26-29)34-10-4-6-12-38(34)44(39)32-22-24-42-25-23-32/h1-31H;1-29H;1-28H;1-27H
InChIKeyGDPGNINYAIUVBK-UHFFFAOYSA-N
XLogP49.17
TPSA123.41 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms194
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002520.09
LogP ≤ 549.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze N-dibenzofuran-2-yl-N-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine;N-dibenzofuran-4-yl-N-naphthalen-1-yl-6-(9-pyridin-3-ylcarbazol-3-yl)pyridin-3-amine;N-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-phenyl-N-[4-(9-pyridin-4-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine;N-dibenzofuran-4-yl-N-naphthalen-1-yl-6-(9-pyridin-3-ylcarbazol-3-yl)pyridin-3-amine;N-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-phenyl-N-[4-(9-pyridin-4-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine;N-dibenzofuran-4-yl-N-naphthalen-1-yl-6-(9-pyridin-3-ylcarbazol-3-yl)pyridin-3-amine;N-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-phenyl-N-[4-(9-pyridin-4-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine (CID 158224179) is N-dibenzofuran-2-yl-N-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine;N-dibenzofuran-4-yl-N-naphthalen-1-yl-6-(9-pyridin-3-ylcarbazol-3-yl)pyridin-3-amine;N-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-phenyl-N-[4-(9-pyridin-4-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine;N-dibenzofuran-4-yl-N-naphthalen-1-yl-6-(9-pyridin-3-ylcarbazol-3-yl)pyridin-3-amine;N-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-phenyl-N-[4-(9-pyridin-4-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine;N-dibenzofuran-4-yl-N-naphthalen-1-yl-6-(9-pyridin-3-ylcarbazol-3-yl)pyridin-3-amine;N-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-phenyl-N-[4-(9-pyridin-4-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc3)c3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6oc7ccccc7c6c5)c5cccc6ccccc56)cn4)ccc32)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccncc3)cc2)c2ccc3sc4ccccc4c3c2)cc1.c1cncc(-n2c3ccccc3c3cc(-c4ccc(N(c5cccc6ccccc56)c5cccc6c5oc5ccccc56)cn4)ccc32)c1.
What is the InChIKey of N-dibenzofuran-2-yl-N-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine;N-dibenzofuran-4-yl-N-naphthalen-1-yl-6-(9-pyridin-3-ylcarbazol-3-yl)pyridin-3-amine;N-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-phenyl-N-[4-(9-pyridin-4-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine?
The InChIKey is GDPGNINYAIUVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3S.C45H29N3O.C44H28N4O.C41H27N3S/c1-3-11-32(12-4-1)33-19-22-36(23-20-33)49(37-25-28-47-42(30-37)40-16-8-10-18-46(40)51-47)38-24-26-43(48-31-38)34-21-27-45-41(29-34)39-15-7-9-17-44(39)50(45)35-13-5-2-6-14-35;1-2-13-32(14-3-1)48-42-18-8-6-16-36(42)38-27-31(21-25-43(38)48)40-24-22-34(29-46-40)47(41-19-10-12-30-11-4-5-15-35(30)41)33-23-26-45-39(28-33)37-17-7-9-20-44(37)49-45;1-2-13-33-29(10-1)11-7-18-39(33)48(42-19-8-16-36-35-15-4-6-20-43(35)49-44(36)42)32-22-23-38(46-28-32)30-21-24-41-37(26-30)34-14-3-5-17-40(34)47(41)31-12-9-25-45-27-31;1-2-8-30(9-3-1)43(33-19-21-41-37(27-33)35-11-5-7-13-40(35)45-41)31-17-14-28(15-18-31)29-16-20-39-36(26-29)34-10-4-6-12-38(34)44(39)32-22-24-42-25-23-32/h1-31H;1-29H;1-28H;1-27H.
What are the key properties of N-dibenzofuran-2-yl-N-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine;N-dibenzofuran-4-yl-N-naphthalen-1-yl-6-(9-pyridin-3-ylcarbazol-3-yl)pyridin-3-amine;N-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-phenyl-N-[4-(9-pyridin-4-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine?
N-dibenzofuran-2-yl-N-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine;N-dibenzofuran-4-yl-N-naphthalen-1-yl-6-(9-pyridin-3-ylcarbazol-3-yl)pyridin-3-amine;N-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-phenyl-N-[4-(9-pyridin-4-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine has a molecular weight of 2520.09 g/mol, XLogP of 49.17, 21 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine;N-dibenzofuran-4-yl-N-naphthalen-1-yl-6-(9-pyridin-3-ylcarbazol-3-yl)pyridin-3-amine;N-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-phenyl-N-[4-(9-pyridin-4-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 158224179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).