3-tert-butyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2-butylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(2-methylpropyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;9-phenyl-1-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole

C236H168N8 — CID 159152979

IUPAC3-tert-butyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2-butylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(2-methylpropyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;9-phenyl-1-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.CC(C)Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.CCCCc1ccccc1-n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc21.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)ccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/3C60H44N2.C56H36N2/c1-60(2,3)43-30-35-57-53(38-43)52-37-42(41-28-33-55-51(36-41)46-20-14-15-25-54(46)61(55)44-18-8-5-9-19-44)29-34-56(52)62(57)45-31-26-40(27-32-45)59-49-23-12-10-21-47(49)58(39-16-6-4-7-17-39)48-22-11-13-24-50(48)59;1-39(2)35-40-25-32-56-52(36-40)54-38-44(43-28-33-57-53(37-43)47-19-13-14-24-55(47)61(57)45-17-7-4-8-18-45)29-34-58(54)62(56)46-30-26-42(27-31-46)60-50-22-11-9-20-48(50)59(41-15-5-3-6-16-41)49-21-10-12-23-51(49)60;1-2-3-17-40-18-7-14-27-54(40)62-56-29-16-13-22-47(56)53-39-44(33-37-58(53)62)43-32-36-57-52(38-43)46-21-12-15-28-55(46)61(57)45-34-30-42(31-35-45)60-50-25-10-8-23-48(50)59(41-19-5-4-6-20-41)49-24-9-11-26-51(49)60;1-3-16-37(17-4-1)54-45-22-7-9-24-47(45)55(48-25-10-8-23-46(48)54)38-30-33-41(34-31-38)57-51-28-13-12-21-44(51)50-36-39(32-35-53(50)57)42-26-15-27-49-43-20-11-14-29-52(43)58(56(42)49)40-18-5-2-6-19-40/h4-38H,1-3H3;3-34,36-39H,35H2,1-2H3;4-16,18-39H,2-3,17H2,1H3;1-36H
InChIKeyKJNOSVDDVQRRGS-UHFFFAOYSA-N
MW3116.00 g/mol
LogP64.59
Rot. Bonds25

About 3-tert-butyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2-butylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(2-methylpropyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;9-phenyl-1-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole

3-tert-butyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2-butylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(2-methylpropyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;9-phenyl-1-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole (PubChem CID 159152979) has the molecular formula C236H168N8 and a molecular weight of 3116.00 g/mol. Its IUPAC name is 3-tert-butyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2-butylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(2-methylpropyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;9-phenyl-1-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3-tert-butyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2-butylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(2-methylpropyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;9-phenyl-1-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole
PubChem CID159152979
Molecular FormulaC236H168N8
Molecular Weight3116.00 g/mol
Exact Mass3113.34
IUPAC Name3-tert-butyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2-butylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(2-methylpropyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;9-phenyl-1-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.CC(C)Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.CCCCc1ccccc1-n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc21.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)ccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/3C60H44N2.C56H36N2/c1-60(2,3)43-30-35-57-53(38-43)52-37-42(41-28-33-55-51(36-41)46-20-14-15-25-54(46)61(55)44-18-8-5-9-19-44)29-34-56(52)62(57)45-31-26-40(27-32-45)59-49-23-12-10-21-47(49)58(39-16-6-4-7-17-39)48-22-11-13-24-50(48)59;1-39(2)35-40-25-32-56-52(36-40)54-38-44(43-28-33-57-53(37-43)47-19-13-14-24-55(47)61(57)45-17-7-4-8-18-45)29-34-58(54)62(56)46-30-26-42(27-31-46)60-50-22-11-9-20-48(50)59(41-15-5-3-6-16-41)49-21-10-12-23-51(49)60;1-2-3-17-40-18-7-14-27-54(40)62-56-29-16-13-22-47(56)53-39-44(33-37-58(53)62)43-32-36-57-52(38-43)46-21-12-15-28-55(46)61(57)45-34-30-42(31-35-45)60-50-25-10-8-23-48(50)59(41-19-5-4-6-20-41)49-24-9-11-26-51(49)60;1-3-16-37(17-4-1)54-45-22-7-9-24-47(45)55(48-25-10-8-23-46(48)54)38-30-33-41(34-31-38)57-51-28-13-12-21-44(51)50-36-39(32-35-53(50)57)42-26-15-27-49-43-20-11-14-29-52(43)58(56(42)49)40-18-5-2-6-19-40/h4-38H,1-3H3;3-34,36-39H,35H2,1-2H3;4-16,18-39H,2-3,17H2,1H3;1-36H
InChIKeyKJNOSVDDVQRRGS-UHFFFAOYSA-N
XLogP64.59
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds25
Heavy Atoms244
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003116.00
LogP ≤ 564.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-tert-butyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2-butylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(2-methylpropyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;9-phenyl-1-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2-butylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(2-methylpropyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;9-phenyl-1-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole?
The IUPAC name of 3-tert-butyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2-butylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(2-methylpropyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;9-phenyl-1-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole (CID 159152979) is 3-tert-butyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2-butylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(2-methylpropyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;9-phenyl-1-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole.
What is the SMILES notation for 3-tert-butyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2-butylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(2-methylpropyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;9-phenyl-1-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole?
The canonical SMILES for 3-tert-butyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2-butylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(2-methylpropyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;9-phenyl-1-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole is CC(C)(C)c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.CC(C)Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.CCCCc1ccccc1-n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc21.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)ccc54)cc3)c3ccccc23)cc1.
What is the InChIKey of 3-tert-butyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2-butylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(2-methylpropyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;9-phenyl-1-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole?
The InChIKey is KJNOSVDDVQRRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C60H44N2.C56H36N2/c1-60(2,3)43-30-35-57-53(38-43)52-37-42(41-28-33-55-51(36-41)46-20-14-15-25-54(46)61(55)44-18-8-5-9-19-44)29-34-56(52)62(57)45-31-26-40(27-32-45)59-49-23-12-10-21-47(49)58(39-16-6-4-7-17-39)48-22-11-13-24-50(48)59;1-39(2)35-40-25-32-56-52(36-40)54-38-44(43-28-33-57-53(37-43)47-19-13-14-24-55(47)61(57)45-17-7-4-8-18-45)29-34-58(54)62(56)46-30-26-42(27-31-46)60-50-22-11-9-20-48(50)59(41-15-5-3-6-16-41)49-21-10-12-23-51(49)60;1-2-3-17-40-18-7-14-27-54(40)62-56-29-16-13-22-47(56)53-39-44(33-37-58(53)62)43-32-36-57-52(38-43)46-21-12-15-28-55(46)61(57)45-34-30-42(31-35-45)60-50-25-10-8-23-48(50)59(41-19-5-4-6-20-41)49-24-9-11-26-51(49)60;1-3-16-37(17-4-1)54-45-22-7-9-24-47(45)55(48-25-10-8-23-46(48)54)38-30-33-41(34-31-38)57-51-28-13-12-21-44(51)50-36-39(32-35-53(50)57)42-26-15-27-49-43-20-11-14-29-52(43)58(56(42)49)40-18-5-2-6-19-40/h4-38H,1-3H3;3-34,36-39H,35H2,1-2H3;4-16,18-39H,2-3,17H2,1H3;1-36H.
What are the key properties of 3-tert-butyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2-butylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(2-methylpropyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;9-phenyl-1-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole?
3-tert-butyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2-butylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(2-methylpropyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;9-phenyl-1-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole has a molecular weight of 3116.00 g/mol, XLogP of 64.59, 25 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2-butylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(2-methylpropyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;9-phenyl-1-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole is sourced from PubChem (CID 159152979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).