N-[4-[9-[5-chloro-6-(3-methylbutyl)-3-pyridinyl]carbazol-3-yl]phenyl]-8-(2,6-dimethyloctyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[3-[9-(2,4,6-trimethylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[9-(2-propan-2-ylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine

C178H143ClN12O3 — CID 159171541

IUPACN-[4-[9-[5-chloro-6-(3-methylbutyl)-3-pyridinyl]carbazol-3-yl]phenyl]-8-(2,6-dimethyloctyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[3-[9-(2,4,6-trimethylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[9-(2-propan-2-ylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine
SMILESCC(C)c1ncc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6oc7ccccc7c6c5)cc4)ccc32)cn1.CCC(C)CCCC(C)Cc1ccc2oc3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cnc(CCC(C)C)c(Cl)c5)cc4)ccc3c2c1.Cc1nc(C)c(-n2c3ccccc3c3cc(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)oc5ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc56)c4)ccc32)c(C)n1
InChIInChI=1S/C67H47N5O.C62H60ClN3O.C49H36N4O/c1-42-67(43(2)69-44(3)68-42)72-62-24-13-11-22-56(62)59-38-48(28-35-64(59)72)47-17-14-20-53(37-47)70(52-30-25-46(26-31-52)45-15-6-4-7-16-45)54-32-33-57-60-40-50(29-36-65(60)73-66(57)41-54)49-27-34-63-58(39-49)55-21-10-12-23-61(55)71(63)51-18-8-5-9-19-51;1-6-42(4)13-12-14-43(5)35-44-20-34-61-56(36-44)54-31-30-51(39-62(54)67-61)65(49-26-21-46(22-27-49)45-15-8-7-9-16-45)50-28-23-47(24-29-50)48-25-33-60-55(37-48)53-17-10-11-18-59(53)66(60)52-38-57(63)58(64-40-52)32-19-41(2)3;1-32(2)49-50-30-40(31-51-49)53-45-14-8-6-12-41(45)43-28-36(20-26-46(43)53)35-18-23-38(24-19-35)52(37-21-16-34(17-22-37)33-10-4-3-5-11-33)39-25-27-48-44(29-39)42-13-7-9-15-47(42)54-48/h4-41H,1-3H3;7-11,15-18,20-31,33-34,36-43H,6,12-14,19,32,35H2,1-5H3;3-32H,1-2H3
InChIKeyKLTCOUZHBGXCLC-UHFFFAOYSA-N
MW2533.64 g/mol
LogP49.89
Rot. Bonds31

About N-[4-[9-[5-chloro-6-(3-methylbutyl)-3-pyridinyl]carbazol-3-yl]phenyl]-8-(2,6-dimethyloctyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[3-[9-(2,4,6-trimethylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[9-(2-propan-2-ylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine

N-[4-[9-[5-chloro-6-(3-methylbutyl)-3-pyridinyl]carbazol-3-yl]phenyl]-8-(2,6-dimethyloctyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[3-[9-(2,4,6-trimethylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[9-(2-propan-2-ylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine (PubChem CID 159171541) has the molecular formula C178H143ClN12O3 and a molecular weight of 2533.64 g/mol. Its IUPAC name is N-[4-[9-[5-chloro-6-(3-methylbutyl)-3-pyridinyl]carbazol-3-yl]phenyl]-8-(2,6-dimethyloctyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[3-[9-(2,4,6-trimethylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[9-(2-propan-2-ylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-[9-[5-chloro-6-(3-methylbutyl)-3-pyridinyl]carbazol-3-yl]phenyl]-8-(2,6-dimethyloctyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[3-[9-(2,4,6-trimethylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[9-(2-propan-2-ylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine
PubChem CID159171541
Molecular FormulaC178H143ClN12O3
Molecular Weight2533.64 g/mol
Exact Mass2531.11
IUPAC NameN-[4-[9-[5-chloro-6-(3-methylbutyl)-3-pyridinyl]carbazol-3-yl]phenyl]-8-(2,6-dimethyloctyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[3-[9-(2,4,6-trimethylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[9-(2-propan-2-ylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine
SMILESCC(C)c1ncc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6oc7ccccc7c6c5)cc4)ccc32)cn1.CCC(C)CCCC(C)Cc1ccc2oc3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cnc(CCC(C)C)c(Cl)c5)cc4)ccc3c2c1.Cc1nc(C)c(-n2c3ccccc3c3cc(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)oc5ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc56)c4)ccc32)c(C)n1
InChIInChI=1S/C67H47N5O.C62H60ClN3O.C49H36N4O/c1-42-67(43(2)69-44(3)68-42)72-62-24-13-11-22-56(62)59-38-48(28-35-64(59)72)47-17-14-20-53(37-47)70(52-30-25-46(26-31-52)45-15-6-4-7-16-45)54-32-33-57-60-40-50(29-36-65(60)73-66(57)41-54)49-27-34-63-58(39-49)55-21-10-12-23-61(55)71(63)51-18-8-5-9-19-51;1-6-42(4)13-12-14-43(5)35-44-20-34-61-56(36-44)54-31-30-51(39-62(54)67-61)65(49-26-21-46(22-27-49)45-15-8-7-9-16-45)50-28-23-47(24-29-50)48-25-33-60-55(37-48)53-17-10-11-18-59(53)66(60)52-38-57(63)58(64-40-52)32-19-41(2)3;1-32(2)49-50-30-40(31-51-49)53-45-14-8-6-12-41(45)43-28-36(20-26-46(43)53)35-18-23-38(24-19-35)52(37-21-16-34(17-22-37)33-10-4-3-5-11-33)39-25-27-48-44(29-39)42-13-7-9-15-47(42)54-48/h4-41H,1-3H3;7-11,15-18,20-31,33-34,36-43H,6,12-14,19,32,35H2,1-5H3;3-32H,1-2H3
InChIKeyKLTCOUZHBGXCLC-UHFFFAOYSA-N
XLogP49.89
TPSA133.31 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds31
Heavy Atoms194
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002533.64
LogP ≤ 549.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze N-[4-[9-[5-chloro-6-(3-methylbutyl)-3-pyridinyl]carbazol-3-yl]phenyl]-8-(2,6-dimethyloctyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[3-[9-(2,4,6-trimethylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[9-(2-propan-2-ylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[9-[5-chloro-6-(3-methylbutyl)-3-pyridinyl]carbazol-3-yl]phenyl]-8-(2,6-dimethyloctyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[3-[9-(2,4,6-trimethylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[9-(2-propan-2-ylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine?
The IUPAC name of N-[4-[9-[5-chloro-6-(3-methylbutyl)-3-pyridinyl]carbazol-3-yl]phenyl]-8-(2,6-dimethyloctyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[3-[9-(2,4,6-trimethylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[9-(2-propan-2-ylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine (CID 159171541) is N-[4-[9-[5-chloro-6-(3-methylbutyl)-3-pyridinyl]carbazol-3-yl]phenyl]-8-(2,6-dimethyloctyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[3-[9-(2,4,6-trimethylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[9-(2-propan-2-ylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-[4-[9-[5-chloro-6-(3-methylbutyl)-3-pyridinyl]carbazol-3-yl]phenyl]-8-(2,6-dimethyloctyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[3-[9-(2,4,6-trimethylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[9-(2-propan-2-ylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-[4-[9-[5-chloro-6-(3-methylbutyl)-3-pyridinyl]carbazol-3-yl]phenyl]-8-(2,6-dimethyloctyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[3-[9-(2,4,6-trimethylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[9-(2-propan-2-ylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine is CC(C)c1ncc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6oc7ccccc7c6c5)cc4)ccc32)cn1.CCC(C)CCCC(C)Cc1ccc2oc3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cnc(CCC(C)C)c(Cl)c5)cc4)ccc3c2c1.Cc1nc(C)c(-n2c3ccccc3c3cc(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)oc5ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc56)c4)ccc32)c(C)n1.
What is the InChIKey of N-[4-[9-[5-chloro-6-(3-methylbutyl)-3-pyridinyl]carbazol-3-yl]phenyl]-8-(2,6-dimethyloctyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[3-[9-(2,4,6-trimethylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[9-(2-propan-2-ylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine?
The InChIKey is KLTCOUZHBGXCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H47N5O.C62H60ClN3O.C49H36N4O/c1-42-67(43(2)69-44(3)68-42)72-62-24-13-11-22-56(62)59-38-48(28-35-64(59)72)47-17-14-20-53(37-47)70(52-30-25-46(26-31-52)45-15-6-4-7-16-45)54-32-33-57-60-40-50(29-36-65(60)73-66(57)41-54)49-27-34-63-58(39-49)55-21-10-12-23-61(55)71(63)51-18-8-5-9-19-51;1-6-42(4)13-12-14-43(5)35-44-20-34-61-56(36-44)54-31-30-51(39-62(54)67-61)65(49-26-21-46(22-27-49)45-15-8-7-9-16-45)50-28-23-47(24-29-50)48-25-33-60-55(37-48)53-17-10-11-18-59(53)66(60)52-38-57(63)58(64-40-52)32-19-41(2)3;1-32(2)49-50-30-40(31-51-49)53-45-14-8-6-12-41(45)43-28-36(20-26-46(43)53)35-18-23-38(24-19-35)52(37-21-16-34(17-22-37)33-10-4-3-5-11-33)39-25-27-48-44(29-39)42-13-7-9-15-47(42)54-48/h4-41H,1-3H3;7-11,15-18,20-31,33-34,36-43H,6,12-14,19,32,35H2,1-5H3;3-32H,1-2H3.
What are the key properties of N-[4-[9-[5-chloro-6-(3-methylbutyl)-3-pyridinyl]carbazol-3-yl]phenyl]-8-(2,6-dimethyloctyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[3-[9-(2,4,6-trimethylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[9-(2-propan-2-ylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine?
N-[4-[9-[5-chloro-6-(3-methylbutyl)-3-pyridinyl]carbazol-3-yl]phenyl]-8-(2,6-dimethyloctyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[3-[9-(2,4,6-trimethylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[9-(2-propan-2-ylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine has a molecular weight of 2533.64 g/mol, XLogP of 49.89, 31 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-[5-chloro-6-(3-methylbutyl)-3-pyridinyl]carbazol-3-yl]phenyl]-8-(2,6-dimethyloctyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[3-[9-(2,4,6-trimethylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[9-(2-propan-2-ylpyrimidin-5-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 159171541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).