N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-dibenzothiophen-4-yl-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;4-dibenzofuran-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(1-phenylindol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N,N,4-tris[4-(4-phenylphenyl)phenyl]aniline

C314H225N7OS — CID 157353788

IUPACN-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-dibenzothiophen-4-yl-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;4-dibenzofuran-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(1-phenylindol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N,N,4-tris[4-(4-phenylphenyl)phenyl]aniline
SMILESC1=CCCC(C2=CC=C(C3=CC=C(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc6c5sc5ccccc56)c(-c5ccccc5)c4)CC3)CC2)=C1.c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c(-c5ccccc5)c4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc6c5ccn6-c5ccccc5)c(-c5ccccc5)c4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)c(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C66H46N2.C66H47N.C62H44N2.C60H41NO.C60H47NS/c1-5-15-47(16-6-1)49-25-29-51(30-26-49)53-33-38-58(39-34-53)67(59-40-35-54(36-41-59)52-31-27-50(28-32-52)48-17-7-2-8-18-48)60-42-43-61(63(46-60)55-19-9-3-10-20-55)56-37-44-66-64(45-56)62-23-13-14-24-65(62)68(66)57-21-11-4-12-22-57;1-5-13-48(14-6-1)51-21-27-54(28-22-51)57-33-35-61(36-34-57)65-46-45-64(47-66(65)60-19-11-4-12-20-60)67(62-41-37-58(38-42-62)55-29-23-52(24-30-55)49-15-7-2-8-16-49)63-43-39-59(40-44-63)56-31-25-53(26-32-56)50-17-9-3-10-18-50;1-5-14-45(15-6-1)47-24-28-49(29-25-47)51-32-36-55(37-33-51)64(56-38-34-52(35-39-56)50-30-26-48(27-31-50)46-16-7-2-8-17-46)57-40-41-59(61(44-57)53-18-9-3-10-19-53)58-22-13-23-62-60(58)42-43-63(62)54-20-11-4-12-21-54;2*1-4-13-42(14-5-1)44-23-27-46(28-24-44)48-31-35-51(36-32-48)61(52-37-33-49(34-38-52)47-29-25-45(26-30-47)43-15-6-2-7-16-43)53-39-40-54(58(41-53)50-17-8-3-9-18-50)56-20-12-21-57-55-19-10-11-22-59(55)62-60(56)57/h1-46H;1-47H;1-44H;1-41H;1-6,8-15,17-25,27-29,31-33,35-37,39-41H,7,16,26,30,34,38H2
InChIKeyBHVLJPONHSXHJD-UHFFFAOYSA-N
MW4144.37 g/mol
LogP88.30
Rot. Bonds49

About N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-dibenzothiophen-4-yl-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;4-dibenzofuran-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(1-phenylindol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N,N,4-tris[4-(4-phenylphenyl)phenyl]aniline

N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-dibenzothiophen-4-yl-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;4-dibenzofuran-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(1-phenylindol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N,N,4-tris[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 157353788) has the molecular formula C314H225N7OS and a molecular weight of 4144.37 g/mol. Its IUPAC name is N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-dibenzothiophen-4-yl-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;4-dibenzofuran-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(1-phenylindol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N,N,4-tris[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-dibenzothiophen-4-yl-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;4-dibenzofuran-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(1-phenylindol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N,N,4-tris[4-(4-phenylphenyl)phenyl]aniline
PubChem CID157353788
Molecular FormulaC314H225N7OS
Molecular Weight4144.37 g/mol
Exact Mass4140.75
IUPAC NameN-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-dibenzothiophen-4-yl-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;4-dibenzofuran-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(1-phenylindol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N,N,4-tris[4-(4-phenylphenyl)phenyl]aniline
SMILESC1=CCCC(C2=CC=C(C3=CC=C(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc6c5sc5ccccc56)c(-c5ccccc5)c4)CC3)CC2)=C1.c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c(-c5ccccc5)c4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc6c5ccn6-c5ccccc5)c(-c5ccccc5)c4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)c(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C66H46N2.C66H47N.C62H44N2.C60H41NO.C60H47NS/c1-5-15-47(16-6-1)49-25-29-51(30-26-49)53-33-38-58(39-34-53)67(59-40-35-54(36-41-59)52-31-27-50(28-32-52)48-17-7-2-8-18-48)60-42-43-61(63(46-60)55-19-9-3-10-20-55)56-37-44-66-64(45-56)62-23-13-14-24-65(62)68(66)57-21-11-4-12-22-57;1-5-13-48(14-6-1)51-21-27-54(28-22-51)57-33-35-61(36-34-57)65-46-45-64(47-66(65)60-19-11-4-12-20-60)67(62-41-37-58(38-42-62)55-29-23-52(24-30-55)49-15-7-2-8-16-49)63-43-39-59(40-44-63)56-31-25-53(26-32-56)50-17-9-3-10-18-50;1-5-14-45(15-6-1)47-24-28-49(29-25-47)51-32-36-55(37-33-51)64(56-38-34-52(35-39-56)50-30-26-48(27-31-50)46-16-7-2-8-17-46)57-40-41-59(61(44-57)53-18-9-3-10-19-53)58-22-13-23-62-60(58)42-43-63(62)54-20-11-4-12-21-54;2*1-4-13-42(14-5-1)44-23-27-46(28-24-44)48-31-35-51(36-32-48)61(52-37-33-49(34-38-52)47-29-25-45(26-30-47)43-15-6-2-7-16-43)53-39-40-54(58(41-53)50-17-8-3-9-18-50)56-20-12-21-57-55-19-10-11-22-59(55)62-60(56)57/h1-46H;1-47H;1-44H;1-41H;1-6,8-15,17-25,27-29,31-33,35-37,39-41H,7,16,26,30,34,38H2
InChIKeyBHVLJPONHSXHJD-UHFFFAOYSA-N
XLogP88.30
TPSA39.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds49
Heavy Atoms323
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004144.37
LogP ≤ 588.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-dibenzothiophen-4-yl-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;4-dibenzofuran-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(1-phenylindol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N,N,4-tris[4-(4-phenylphenyl)phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-dibenzothiophen-4-yl-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;4-dibenzofuran-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(1-phenylindol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N,N,4-tris[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-dibenzothiophen-4-yl-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;4-dibenzofuran-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(1-phenylindol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N,N,4-tris[4-(4-phenylphenyl)phenyl]aniline (CID 157353788) is N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-dibenzothiophen-4-yl-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;4-dibenzofuran-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(1-phenylindol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N,N,4-tris[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-dibenzothiophen-4-yl-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;4-dibenzofuran-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(1-phenylindol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N,N,4-tris[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-dibenzothiophen-4-yl-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;4-dibenzofuran-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(1-phenylindol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N,N,4-tris[4-(4-phenylphenyl)phenyl]aniline is C1=CCCC(C2=CC=C(C3=CC=C(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc6c5sc5ccccc56)c(-c5ccccc5)c4)CC3)CC2)=C1.c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c(-c5ccccc5)c4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc6c5ccn6-c5ccccc5)c(-c5ccccc5)c4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)c(-c5ccccc5)c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-dibenzothiophen-4-yl-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;4-dibenzofuran-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(1-phenylindol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N,N,4-tris[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is BHVLJPONHSXHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2.C66H47N.C62H44N2.C60H41NO.C60H47NS/c1-5-15-47(16-6-1)49-25-29-51(30-26-49)53-33-38-58(39-34-53)67(59-40-35-54(36-41-59)52-31-27-50(28-32-52)48-17-7-2-8-18-48)60-42-43-61(63(46-60)55-19-9-3-10-20-55)56-37-44-66-64(45-56)62-23-13-14-24-65(62)68(66)57-21-11-4-12-22-57;1-5-13-48(14-6-1)51-21-27-54(28-22-51)57-33-35-61(36-34-57)65-46-45-64(47-66(65)60-19-11-4-12-20-60)67(62-41-37-58(38-42-62)55-29-23-52(24-30-55)49-15-7-2-8-16-49)63-43-39-59(40-44-63)56-31-25-53(26-32-56)50-17-9-3-10-18-50;1-5-14-45(15-6-1)47-24-28-49(29-25-47)51-32-36-55(37-33-51)64(56-38-34-52(35-39-56)50-30-26-48(27-31-50)46-16-7-2-8-17-46)57-40-41-59(61(44-57)53-18-9-3-10-19-53)58-22-13-23-62-60(58)42-43-63(62)54-20-11-4-12-21-54;2*1-4-13-42(14-5-1)44-23-27-46(28-24-44)48-31-35-51(36-32-48)61(52-37-33-49(34-38-52)47-29-25-45(26-30-47)43-15-6-2-7-16-43)53-39-40-54(58(41-53)50-17-8-3-9-18-50)56-20-12-21-57-55-19-10-11-22-59(55)62-60(56)57/h1-46H;1-47H;1-44H;1-41H;1-6,8-15,17-25,27-29,31-33,35-37,39-41H,7,16,26,30,34,38H2.
What are the key properties of N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-dibenzothiophen-4-yl-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;4-dibenzofuran-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(1-phenylindol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N,N,4-tris[4-(4-phenylphenyl)phenyl]aniline?
N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-dibenzothiophen-4-yl-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;4-dibenzofuran-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(1-phenylindol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N,N,4-tris[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 4144.37 g/mol, XLogP of 88.30, 49 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-dibenzothiophen-4-yl-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;4-dibenzofuran-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(1-phenylindol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N,N,4-tris[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 157353788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).