3-chloro-N,N-bis(4-phenylphenyl)-5-[12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-6-yl]aniline;3-chloro-N,N-diphenyl-5-(24-phenyl-3-oxa-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaen-11-yl)aniline;3-chloro-N,N-diphenyl-5-(12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline;3-chloro-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline

C201H129Cl4N9O4 — CID 159673333

IUPAC3-chloro-N,N-bis(4-phenylphenyl)-5-[12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-6-yl]aniline;3-chloro-N,N-diphenyl-5-(24-phenyl-3-oxa-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaen-11-yl)aniline;3-chloro-N,N-diphenyl-5-(12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline;3-chloro-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline
SMILESClc1cc(-c2cc3c4ccc5ccccc5c4n(-c4ccccc4)c3c3oc4ccccc4c23)cc(N(c2ccccc2)c2ccccc2)c1.Clc1cc(-c2cc3c4ccccc4n(-c4cccc(-c5ccccc5)c4)c3c3oc4ccccc4c23)cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c1.Clc1cc(-c2cc3c4ccccc4n(-c4ccccc4)c3c3oc4ccccc4c23)cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c1.Clc1cc(-c2cc3c4ccccc4n(-c4ccccn4)c3c3oc4ccccc4c23)cc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C60H39ClN2O.C54H35ClN2O.C46H29ClN2O.C41H26ClN3O/c61-47-35-46(37-51(38-47)62(48-31-27-43(28-32-48)40-15-4-1-5-16-40)49-33-29-44(30-34-49)41-17-6-2-7-18-41)54-39-55-52-23-10-12-25-56(52)63(50-22-14-21-45(36-50)42-19-8-3-9-20-42)59(55)60-58(54)53-24-11-13-26-57(53)64-60;55-41-32-40(48-35-49-46-20-10-12-22-50(46)57(42-18-8-3-9-19-42)53(49)54-52(48)47-21-11-13-23-51(47)58-54)33-45(34-41)56(43-28-24-38(25-29-43)36-14-4-1-5-15-36)44-30-26-39(27-31-44)37-16-6-2-7-17-37;47-32-26-31(27-36(28-32)48(33-15-4-1-5-16-33)34-17-6-2-7-18-34)40-29-41-38-25-24-30-14-10-11-21-37(30)44(38)49(35-19-8-3-9-20-35)45(41)46-43(40)39-22-12-13-23-42(39)50-46;42-28-23-27(24-31(25-28)44(29-13-3-1-4-14-29)30-15-5-2-6-16-30)34-26-35-32-17-7-9-19-36(32)45(38-21-11-12-22-43-38)40(35)41-39(34)33-18-8-10-20-37(33)46-41/h1-39H;1-35H;1-29H;1-26H
InChIKeyMUGUIDFARBCIBY-UHFFFAOYSA-N
MW2876.11 g/mol
LogP58.78
Rot. Bonds25

About 3-chloro-N,N-bis(4-phenylphenyl)-5-[12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-6-yl]aniline;3-chloro-N,N-diphenyl-5-(24-phenyl-3-oxa-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaen-11-yl)aniline;3-chloro-N,N-diphenyl-5-(12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline;3-chloro-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline

3-chloro-N,N-bis(4-phenylphenyl)-5-[12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-6-yl]aniline;3-chloro-N,N-diphenyl-5-(24-phenyl-3-oxa-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaen-11-yl)aniline;3-chloro-N,N-diphenyl-5-(12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline;3-chloro-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline (PubChem CID 159673333) has the molecular formula C201H129Cl4N9O4 and a molecular weight of 2876.11 g/mol. Its IUPAC name is 3-chloro-N,N-bis(4-phenylphenyl)-5-[12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-6-yl]aniline;3-chloro-N,N-diphenyl-5-(24-phenyl-3-oxa-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaen-11-yl)aniline;3-chloro-N,N-diphenyl-5-(12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline;3-chloro-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-chloro-N,N-bis(4-phenylphenyl)-5-[12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-6-yl]aniline;3-chloro-N,N-diphenyl-5-(24-phenyl-3-oxa-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaen-11-yl)aniline;3-chloro-N,N-diphenyl-5-(12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline;3-chloro-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline
PubChem CID159673333
Molecular FormulaC201H129Cl4N9O4
Molecular Weight2876.11 g/mol
Exact Mass2871.89
IUPAC Name3-chloro-N,N-bis(4-phenylphenyl)-5-[12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-6-yl]aniline;3-chloro-N,N-diphenyl-5-(24-phenyl-3-oxa-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaen-11-yl)aniline;3-chloro-N,N-diphenyl-5-(12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline;3-chloro-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline
SMILESClc1cc(-c2cc3c4ccc5ccccc5c4n(-c4ccccc4)c3c3oc4ccccc4c23)cc(N(c2ccccc2)c2ccccc2)c1.Clc1cc(-c2cc3c4ccccc4n(-c4cccc(-c5ccccc5)c4)c3c3oc4ccccc4c23)cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c1.Clc1cc(-c2cc3c4ccccc4n(-c4ccccc4)c3c3oc4ccccc4c23)cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c1.Clc1cc(-c2cc3c4ccccc4n(-c4ccccn4)c3c3oc4ccccc4c23)cc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C60H39ClN2O.C54H35ClN2O.C46H29ClN2O.C41H26ClN3O/c61-47-35-46(37-51(38-47)62(48-31-27-43(28-32-48)40-15-4-1-5-16-40)49-33-29-44(30-34-49)41-17-6-2-7-18-41)54-39-55-52-23-10-12-25-56(52)63(50-22-14-21-45(36-50)42-19-8-3-9-20-42)59(55)60-58(54)53-24-11-13-26-57(53)64-60;55-41-32-40(48-35-49-46-20-10-12-22-50(46)57(42-18-8-3-9-19-42)53(49)54-52(48)47-21-11-13-23-51(47)58-54)33-45(34-41)56(43-28-24-38(25-29-43)36-14-4-1-5-15-36)44-30-26-39(27-31-44)37-16-6-2-7-17-37;47-32-26-31(27-36(28-32)48(33-15-4-1-5-16-33)34-17-6-2-7-18-34)40-29-41-38-25-24-30-14-10-11-21-37(30)44(38)49(35-19-8-3-9-20-35)45(41)46-43(40)39-22-12-13-23-42(39)50-46;42-28-23-27(24-31(25-28)44(29-13-3-1-4-14-29)30-15-5-2-6-16-30)34-26-35-32-17-7-9-19-36(32)45(38-21-11-12-22-43-38)40(35)41-39(34)33-18-8-10-20-37(33)46-41/h1-39H;1-35H;1-29H;1-26H
InChIKeyMUGUIDFARBCIBY-UHFFFAOYSA-N
XLogP58.78
TPSA98.13 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds25
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002876.11
LogP ≤ 558.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3-chloro-N,N-bis(4-phenylphenyl)-5-[12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-6-yl]aniline;3-chloro-N,N-diphenyl-5-(24-phenyl-3-oxa-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaen-11-yl)aniline;3-chloro-N,N-diphenyl-5-(12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline;3-chloro-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-bis(4-phenylphenyl)-5-[12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-6-yl]aniline;3-chloro-N,N-diphenyl-5-(24-phenyl-3-oxa-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaen-11-yl)aniline;3-chloro-N,N-diphenyl-5-(12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline;3-chloro-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 3-chloro-N,N-bis(4-phenylphenyl)-5-[12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-6-yl]aniline;3-chloro-N,N-diphenyl-5-(24-phenyl-3-oxa-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaen-11-yl)aniline;3-chloro-N,N-diphenyl-5-(12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline;3-chloro-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline (CID 159673333) is 3-chloro-N,N-bis(4-phenylphenyl)-5-[12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-6-yl]aniline;3-chloro-N,N-diphenyl-5-(24-phenyl-3-oxa-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaen-11-yl)aniline;3-chloro-N,N-diphenyl-5-(12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline;3-chloro-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 3-chloro-N,N-bis(4-phenylphenyl)-5-[12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-6-yl]aniline;3-chloro-N,N-diphenyl-5-(24-phenyl-3-oxa-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaen-11-yl)aniline;3-chloro-N,N-diphenyl-5-(12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline;3-chloro-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 3-chloro-N,N-bis(4-phenylphenyl)-5-[12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-6-yl]aniline;3-chloro-N,N-diphenyl-5-(24-phenyl-3-oxa-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaen-11-yl)aniline;3-chloro-N,N-diphenyl-5-(12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline;3-chloro-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline is Clc1cc(-c2cc3c4ccc5ccccc5c4n(-c4ccccc4)c3c3oc4ccccc4c23)cc(N(c2ccccc2)c2ccccc2)c1.Clc1cc(-c2cc3c4ccccc4n(-c4cccc(-c5ccccc5)c4)c3c3oc4ccccc4c23)cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c1.Clc1cc(-c2cc3c4ccccc4n(-c4ccccc4)c3c3oc4ccccc4c23)cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c1.Clc1cc(-c2cc3c4ccccc4n(-c4ccccn4)c3c3oc4ccccc4c23)cc(N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-chloro-N,N-bis(4-phenylphenyl)-5-[12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-6-yl]aniline;3-chloro-N,N-diphenyl-5-(24-phenyl-3-oxa-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaen-11-yl)aniline;3-chloro-N,N-diphenyl-5-(12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline;3-chloro-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is MUGUIDFARBCIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39ClN2O.C54H35ClN2O.C46H29ClN2O.C41H26ClN3O/c61-47-35-46(37-51(38-47)62(48-31-27-43(28-32-48)40-15-4-1-5-16-40)49-33-29-44(30-34-49)41-17-6-2-7-18-41)54-39-55-52-23-10-12-25-56(52)63(50-22-14-21-45(36-50)42-19-8-3-9-20-42)59(55)60-58(54)53-24-11-13-26-57(53)64-60;55-41-32-40(48-35-49-46-20-10-12-22-50(46)57(42-18-8-3-9-19-42)53(49)54-52(48)47-21-11-13-23-51(47)58-54)33-45(34-41)56(43-28-24-38(25-29-43)36-14-4-1-5-15-36)44-30-26-39(27-31-44)37-16-6-2-7-17-37;47-32-26-31(27-36(28-32)48(33-15-4-1-5-16-33)34-17-6-2-7-18-34)40-29-41-38-25-24-30-14-10-11-21-37(30)44(38)49(35-19-8-3-9-20-35)45(41)46-43(40)39-22-12-13-23-42(39)50-46;42-28-23-27(24-31(25-28)44(29-13-3-1-4-14-29)30-15-5-2-6-16-30)34-26-35-32-17-7-9-19-36(32)45(38-21-11-12-22-43-38)40(35)41-39(34)33-18-8-10-20-37(33)46-41/h1-39H;1-35H;1-29H;1-26H.
What are the key properties of 3-chloro-N,N-bis(4-phenylphenyl)-5-[12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-6-yl]aniline;3-chloro-N,N-diphenyl-5-(24-phenyl-3-oxa-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaen-11-yl)aniline;3-chloro-N,N-diphenyl-5-(12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline;3-chloro-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline?
3-chloro-N,N-bis(4-phenylphenyl)-5-[12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-6-yl]aniline;3-chloro-N,N-diphenyl-5-(24-phenyl-3-oxa-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaen-11-yl)aniline;3-chloro-N,N-diphenyl-5-(12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline;3-chloro-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 2876.11 g/mol, XLogP of 58.78, 25 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-bis(4-phenylphenyl)-5-[12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-6-yl]aniline;3-chloro-N,N-diphenyl-5-(24-phenyl-3-oxa-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaen-11-yl)aniline;3-chloro-N,N-diphenyl-5-(12-pyridin-2-yl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline;3-chloro-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 159673333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).