4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine;4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline

C165H118N6 — CID 161489834

IUPAC4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine;4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc2)cc1.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccccc4c3)cc2)c2ccccc12.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2cc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)ccc2c1
InChIInChI=1S/C59H42N2.2C53H38N2/c1-59(2)55-22-12-10-20-50(55)53-38-58-54(37-56(53)59)51-21-11-13-23-57(51)61(58)46-32-26-40(27-33-46)39-24-30-44(31-25-39)60(43-15-4-3-5-16-43)45-34-28-41(29-35-45)52-36-42-14-6-7-17-47(42)48-18-8-9-19-49(48)52;1-53(2)49-18-10-8-16-45(49)47-34-52-48(33-50(47)53)46-17-9-11-19-51(46)55(52)44-29-25-39-31-43(28-24-40(39)32-44)54(41-14-4-3-5-15-41)42-26-22-36(23-27-42)38-21-20-35-12-6-7-13-37(35)30-38;1-53(2)47-22-12-10-18-41(47)45-34-52-46(33-48(45)53)44-21-11-13-23-49(44)55(52)51-31-30-50(42-19-8-9-20-43(42)51)54(39-16-4-3-5-17-39)40-28-26-36(27-29-40)38-25-24-35-14-6-7-15-37(35)32-38/h3-38H,1-2H3;2*3-34H,1-2H3
InChIKeyWFLPEUNIWSULQU-UHFFFAOYSA-N
MW2184.80 g/mol
LogP45.27
Rot. Bonds16

About 4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine;4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline

4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine;4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline (PubChem CID 161489834) has the molecular formula C165H118N6 and a molecular weight of 2184.80 g/mol. Its IUPAC name is 4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine;4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine;4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
PubChem CID161489834
Molecular FormulaC165H118N6
Molecular Weight2184.80 g/mol
Exact Mass2182.94
IUPAC Name4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine;4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc2)cc1.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccccc4c3)cc2)c2ccccc12.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2cc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)ccc2c1
InChIInChI=1S/C59H42N2.2C53H38N2/c1-59(2)55-22-12-10-20-50(55)53-38-58-54(37-56(53)59)51-21-11-13-23-57(51)61(58)46-32-26-40(27-33-46)39-24-30-44(31-25-39)60(43-15-4-3-5-16-43)45-34-28-41(29-35-45)52-36-42-14-6-7-17-47(42)48-18-8-9-19-49(48)52;1-53(2)49-18-10-8-16-45(49)47-34-52-48(33-50(47)53)46-17-9-11-19-51(46)55(52)44-29-25-39-31-43(28-24-40(39)32-44)54(41-14-4-3-5-15-41)42-26-22-36(23-27-42)38-21-20-35-12-6-7-13-37(35)30-38;1-53(2)47-22-12-10-18-41(47)45-34-52-46(33-48(45)53)44-21-11-13-23-49(44)55(52)51-31-30-50(42-19-8-9-20-43(42)51)54(39-16-4-3-5-17-39)40-28-26-36(27-29-40)38-25-24-35-14-6-7-15-37(35)32-38/h3-38H,1-2H3;2*3-34H,1-2H3
InChIKeyWFLPEUNIWSULQU-UHFFFAOYSA-N
XLogP45.27
TPSA24.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms171
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002184.80
LogP ≤ 545.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine;4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine;4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline?
The IUPAC name of 4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine;4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline (CID 161489834) is 4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine;4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline.
What is the SMILES notation for 4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine;4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline?
The canonical SMILES for 4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine;4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc2)cc1.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccccc4c3)cc2)c2ccccc12.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2cc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)ccc2c1.
What is the InChIKey of 4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine;4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline?
The InChIKey is WFLPEUNIWSULQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N2.2C53H38N2/c1-59(2)55-22-12-10-20-50(55)53-38-58-54(37-56(53)59)51-21-11-13-23-57(51)61(58)46-32-26-40(27-33-46)39-24-30-44(31-25-39)60(43-15-4-3-5-16-43)45-34-28-41(29-35-45)52-36-42-14-6-7-17-47(42)48-18-8-9-19-49(48)52;1-53(2)49-18-10-8-16-45(49)47-34-52-48(33-50(47)53)46-17-9-11-19-51(46)55(52)44-29-25-39-31-43(28-24-40(39)32-44)54(41-14-4-3-5-15-41)42-26-22-36(23-27-42)38-21-20-35-12-6-7-13-37(35)30-38;1-53(2)47-22-12-10-18-41(47)45-34-52-46(33-48(45)53)44-21-11-13-23-49(44)55(52)51-31-30-50(42-19-8-9-20-43(42)51)54(39-16-4-3-5-17-39)40-28-26-36(27-29-40)38-25-24-35-14-6-7-15-37(35)32-38/h3-38H,1-2H3;2*3-34H,1-2H3.
What are the key properties of 4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine;4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline?
4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine;4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline has a molecular weight of 2184.80 g/mol, XLogP of 45.27, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine;4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline is sourced from PubChem (CID 161489834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).