3,6-ditert-butyl-9-[4-(2-tert-butyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole

C54H51N — CID 163845433

IUPAC3,6-ditert-butyl-9-[4-(2-tert-butyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)c2c1
InChIInChI=1S/C54H51N/c1-52(2,3)36-23-28-44-47(33-36)50(42-18-12-13-19-43(42)51(44)41-20-14-16-34-15-10-11-17-40(34)41)35-21-26-39(27-22-35)55-48-29-24-37(53(4,5)6)31-45(48)46-32-38(54(7,8)9)25-30-49(46)55/h10-33H,1-9H3
InChIKeyOPSKZYSQYFXWMR-UHFFFAOYSA-N
MW714.01 g/mol
LogP15.47
Rot. Bonds3

About 3,6-ditert-butyl-9-[4-(2-tert-butyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole

3,6-ditert-butyl-9-[4-(2-tert-butyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole (PubChem CID 163845433) has the molecular formula C54H51N and a molecular weight of 714.01 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-[4-(2-tert-butyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-[4-(2-tert-butyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole
PubChem CID163845433
Molecular FormulaC54H51N
Molecular Weight714.01 g/mol
Exact Mass713.40
IUPAC Name3,6-ditert-butyl-9-[4-(2-tert-butyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)c2c1
InChIInChI=1S/C54H51N/c1-52(2,3)36-23-28-44-47(33-36)50(42-18-12-13-19-43(42)51(44)41-20-14-16-34-15-10-11-17-40(34)41)35-21-26-39(27-22-35)55-48-29-24-37(53(4,5)6)31-45(48)46-32-38(54(7,8)9)25-30-49(46)55/h10-33H,1-9H3
InChIKeyOPSKZYSQYFXWMR-UHFFFAOYSA-N
XLogP15.47
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.01
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,6-ditert-butyl-9-[4-(2-tert-butyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-ditert-butyl-9-[4-[4-(2,5-dinaphthalen-1-ylpyrrol-1-yl)phenyl]phenyl]carbazole
CID 58489450
9-[4-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991829
9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]-3-naphthalen-2-ylcarbazole;3-naphthalen-1-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-naphthalen-2-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 161107291
9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 58991757
3,6-ditert-butyl-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 59844594
9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dinaphthalen-1-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
CID 59357240
3-(2-tert-butyl-10-pyren-1-ylanthracen-9-yl)-9-phenylcarbazole
CID 143844259
2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
CID 140869806
9-[4-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]-3-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(2-phenylphenyl)carbazole
CID 162176343
9-[3-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991842
9-[4-(10-naphthalen-1-yl-2-propan-2-ylanthracen-9-yl)phenyl]carbazole
CID 143920796
3-[9,10-dinaphthalen-1-yl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;2-naphthalen-1-yl-6,9,10-triphenylanthracene;2,9,10-trinaphthalen-1-yl-6-phenylanthracene
CID 160576501

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-[4-(2-tert-butyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole?
The IUPAC name of 3,6-ditert-butyl-9-[4-(2-tert-butyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole (CID 163845433) is 3,6-ditert-butyl-9-[4-(2-tert-butyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-[4-(2-tert-butyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole?
The canonical SMILES for 3,6-ditert-butyl-9-[4-(2-tert-butyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole is CC(C)(C)c1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)c2c1.
What is the InChIKey of 3,6-ditert-butyl-9-[4-(2-tert-butyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole?
The InChIKey is OPSKZYSQYFXWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H51N/c1-52(2,3)36-23-28-44-47(33-36)50(42-18-12-13-19-43(42)51(44)41-20-14-16-34-15-10-11-17-40(34)41)35-21-26-39(27-22-35)55-48-29-24-37(53(4,5)6)31-45(48)46-32-38(54(7,8)9)25-30-49(46)55/h10-33H,1-9H3.
What are the key properties of 3,6-ditert-butyl-9-[4-(2-tert-butyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole?
3,6-ditert-butyl-9-[4-(2-tert-butyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole has a molecular weight of 714.01 g/mol, XLogP of 15.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-[4-(2-tert-butyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole is sourced from PubChem (CID 163845433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).