1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine

C252H182N16 — CID 163786005

IUPAC1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
SMILESC=Cc1ccc2c(c1)c1cc(N(c3ccc(N(c4ccc5c(c4)c4cc(C=C)ccc4n5-c4ccccc4)c4cccc5ccccc45)cc3)c3cccc4ccccc34)ccc1n2-c1ccccc1.C=Cc1ccc2c(c1)c1cc(N(c3ccc(N(c4cccc(C)c4)c4ccc5c(c4)c4cc(C=C)ccc4n5-c4ccccc4)cc3)c3cccc(C)c3)ccc1n2-c1ccccc1.C=Cc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)c4cc(C=C)ccc4n5-c4ccccc4)cc3)ccc1n2-c1ccccc1.C=Cc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc(N(c4ccc5c(c4)c4cc(C=C)ccc4n5-c4ccccc4)c4cccc5ccccc45)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C66H46N4.C64H46N4.C62H44N4.C60H46N4/c1-3-45-29-37-63-57(41-45)59-43-53(35-39-65(59)69(63)49-21-7-5-8-22-49)67(61-27-15-19-47-17-11-13-25-55(47)61)51-31-33-52(34-32-51)68(62-28-16-20-48-18-12-14-26-56(48)62)54-36-40-66-60(44-54)58-42-46(4-2)30-38-64(58)70(66)50-23-9-6-10-24-50;1-3-45-25-37-61-57(41-45)59-43-55(35-39-63(59)67(61)50-21-13-7-14-22-50)65(49-19-11-6-12-20-49)53-31-33-54(34-32-53)66(52-29-27-48(28-30-52)47-17-9-5-10-18-47)56-36-40-64-60(44-56)58-42-46(4-2)26-38-62(58)68(64)51-23-15-8-16-24-51;1-3-43-27-35-59-54(39-43)56-41-51(33-37-61(56)65(59)47-21-10-6-11-22-47)63(46-19-8-5-9-20-46)49-29-31-50(32-30-49)64(58-26-16-18-45-17-14-15-25-53(45)58)52-34-38-62-57(42-52)55-40-44(4-2)28-36-60(55)66(62)48-23-12-7-13-24-48;1-5-43-23-31-57-53(37-43)55-39-51(29-33-59(55)63(57)45-17-9-7-10-18-45)61(49-21-13-15-41(3)35-49)47-25-27-48(28-26-47)62(50-22-14-16-42(4)36-50)52-30-34-60-56(40-52)54-38-44(6-2)24-32-58(54)64(60)46-19-11-8-12-20-46/h3-44H,1-2H2;3-44H,1-2H2;3-42H,1-2H2;5-40H,1-2H2,3-4H3
InChIKeyMSOVZVTWXSZQNI-UHFFFAOYSA-N
MW3434.34 g/mol
LogP70.17
Rot. Bonds41

About 1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine

1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine (PubChem CID 163786005) has the molecular formula C252H182N16 and a molecular weight of 3434.34 g/mol. Its IUPAC name is 1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
PubChem CID163786005
Molecular FormulaC252H182N16
Molecular Weight3434.34 g/mol
Exact Mass3431.47
IUPAC Name1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
SMILESC=Cc1ccc2c(c1)c1cc(N(c3ccc(N(c4ccc5c(c4)c4cc(C=C)ccc4n5-c4ccccc4)c4cccc5ccccc45)cc3)c3cccc4ccccc34)ccc1n2-c1ccccc1.C=Cc1ccc2c(c1)c1cc(N(c3ccc(N(c4cccc(C)c4)c4ccc5c(c4)c4cc(C=C)ccc4n5-c4ccccc4)cc3)c3cccc(C)c3)ccc1n2-c1ccccc1.C=Cc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)c4cc(C=C)ccc4n5-c4ccccc4)cc3)ccc1n2-c1ccccc1.C=Cc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc(N(c4ccc5c(c4)c4cc(C=C)ccc4n5-c4ccccc4)c4cccc5ccccc45)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C66H46N4.C64H46N4.C62H44N4.C60H46N4/c1-3-45-29-37-63-57(41-45)59-43-53(35-39-65(59)69(63)49-21-7-5-8-22-49)67(61-27-15-19-47-17-11-13-25-55(47)61)51-31-33-52(34-32-51)68(62-28-16-20-48-18-12-14-26-56(48)62)54-36-40-66-60(44-54)58-42-46(4-2)30-38-64(58)70(66)50-23-9-6-10-24-50;1-3-45-25-37-61-57(41-45)59-43-55(35-39-63(59)67(61)50-21-13-7-14-22-50)65(49-19-11-6-12-20-49)53-31-33-54(34-32-53)66(52-29-27-48(28-30-52)47-17-9-5-10-18-47)56-36-40-64-60(44-56)58-42-46(4-2)26-38-62(58)68(64)51-23-15-8-16-24-51;1-3-43-27-35-59-54(39-43)56-41-51(33-37-61(56)65(59)47-21-10-6-11-22-47)63(46-19-8-5-9-20-46)49-29-31-50(32-30-49)64(58-26-16-18-45-17-14-15-25-53(45)58)52-34-38-62-57(42-52)55-40-44(4-2)28-36-60(55)66(62)48-23-12-7-13-24-48;1-5-43-23-31-57-53(37-43)55-39-51(29-33-59(55)63(57)45-17-9-7-10-18-45)61(49-21-13-15-41(3)35-49)47-25-27-48(28-26-47)62(50-22-14-16-42(4)36-50)52-30-34-60-56(40-52)54-38-44(6-2)24-32-58(54)64(60)46-19-11-8-12-20-46/h3-44H,1-2H2;3-44H,1-2H2;3-42H,1-2H2;5-40H,1-2H2,3-4H3
InChIKeyMSOVZVTWXSZQNI-UHFFFAOYSA-N
XLogP70.17
TPSA65.36 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds41
Heavy Atoms268
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003434.34
LogP ≤ 570.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine (CID 163786005) is 1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine is C=Cc1ccc2c(c1)c1cc(N(c3ccc(N(c4ccc5c(c4)c4cc(C=C)ccc4n5-c4ccccc4)c4cccc5ccccc45)cc3)c3cccc4ccccc34)ccc1n2-c1ccccc1.C=Cc1ccc2c(c1)c1cc(N(c3ccc(N(c4cccc(C)c4)c4ccc5c(c4)c4cc(C=C)ccc4n5-c4ccccc4)cc3)c3cccc(C)c3)ccc1n2-c1ccccc1.C=Cc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)c4cc(C=C)ccc4n5-c4ccccc4)cc3)ccc1n2-c1ccccc1.C=Cc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc(N(c4ccc5c(c4)c4cc(C=C)ccc4n5-c4ccccc4)c4cccc5ccccc45)cc3)ccc1n2-c1ccccc1.
What is the InChIKey of 1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
The InChIKey is MSOVZVTWXSZQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N4.C64H46N4.C62H44N4.C60H46N4/c1-3-45-29-37-63-57(41-45)59-43-53(35-39-65(59)69(63)49-21-7-5-8-22-49)67(61-27-15-19-47-17-11-13-25-55(47)61)51-31-33-52(34-32-51)68(62-28-16-20-48-18-12-14-26-56(48)62)54-36-40-66-60(44-54)58-42-46(4-2)30-38-64(58)70(66)50-23-9-6-10-24-50;1-3-45-25-37-61-57(41-45)59-43-55(35-39-63(59)67(61)50-21-13-7-14-22-50)65(49-19-11-6-12-20-49)53-31-33-54(34-32-53)66(52-29-27-48(28-30-52)47-17-9-5-10-18-47)56-36-40-64-60(44-56)58-42-46(4-2)26-38-62(58)68(64)51-23-15-8-16-24-51;1-3-43-27-35-59-54(39-43)56-41-51(33-37-61(56)65(59)47-21-10-6-11-22-47)63(46-19-8-5-9-20-46)49-29-31-50(32-30-49)64(58-26-16-18-45-17-14-15-25-53(45)58)52-34-38-62-57(42-52)55-40-44(4-2)28-36-60(55)66(62)48-23-12-7-13-24-48;1-5-43-23-31-57-53(37-43)55-39-51(29-33-59(55)63(57)45-17-9-7-10-18-45)61(49-21-13-15-41(3)35-49)47-25-27-48(28-26-47)62(50-22-14-16-42(4)36-50)52-30-34-60-56(40-52)54-38-44(6-2)24-32-58(54)64(60)46-19-11-8-12-20-46/h3-44H,1-2H2;3-44H,1-2H2;3-42H,1-2H2;5-40H,1-2H2,3-4H3.
What are the key properties of 1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine has a molecular weight of 3434.34 g/mol, XLogP of 70.17, 41 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 163786005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).