9-tert-butyl-3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-tert-butyl-3-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole

C102H78N2 — CID 161436375

IUPAC9-tert-butyl-3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-tert-butyl-3-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole
SMILESCC(C)(C)n1c2ccccc2c2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5ccccc45)cc3)ccc21.CC(C)(C)n1c2ccccc2c2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccccc6)cc5)c5ccccc45)cc3)ccc21
InChIInChI=1S/C54H41N.C48H37N/c1-54(2,3)55-50-20-12-11-15-44(50)49-35-43(33-34-51(49)55)40-27-31-42(32-28-40)53-47-18-9-7-16-45(47)52(46-17-8-10-19-48(46)53)41-29-25-39(26-30-41)38-23-21-37(22-24-38)36-13-5-4-6-14-36;1-48(2,3)49-44-20-12-11-15-38(44)43-31-37(29-30-45(43)49)34-23-27-36(28-24-34)47-41-18-9-7-16-39(41)46(40-17-8-10-19-42(40)47)35-25-21-33(22-26-35)32-13-5-4-6-14-32/h4-35H,1-3H3;4-31H,1-3H3
InChIKeyVYRUCLOUCJTKOJ-UHFFFAOYSA-N
MW1331.76 g/mol
LogP28.71
Rot. Bonds9

About 9-tert-butyl-3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-tert-butyl-3-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole

9-tert-butyl-3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-tert-butyl-3-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole (PubChem CID 161436375) has the molecular formula C102H78N2 and a molecular weight of 1331.76 g/mol. Its IUPAC name is 9-tert-butyl-3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-tert-butyl-3-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-tert-butyl-3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-tert-butyl-3-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole
PubChem CID161436375
Molecular FormulaC102H78N2
Molecular Weight1331.76 g/mol
Exact Mass1330.62
IUPAC Name9-tert-butyl-3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-tert-butyl-3-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole
SMILESCC(C)(C)n1c2ccccc2c2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5ccccc45)cc3)ccc21.CC(C)(C)n1c2ccccc2c2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccccc6)cc5)c5ccccc45)cc3)ccc21
InChIInChI=1S/C54H41N.C48H37N/c1-54(2,3)55-50-20-12-11-15-44(50)49-35-43(33-34-51(49)55)40-27-31-42(32-28-40)53-47-18-9-7-16-45(47)52(46-17-8-10-19-48(46)53)41-29-25-39(26-30-41)38-23-21-37(22-24-38)36-13-5-4-6-14-36;1-48(2,3)49-44-20-12-11-15-38(44)43-31-37(29-30-45(43)49)34-23-27-36(28-24-34)47-41-18-9-7-16-39(41)46(40-17-8-10-19-42(40)47)35-25-21-33(22-26-35)32-13-5-4-6-14-32/h4-35H,1-3H3;4-31H,1-3H3
InChIKeyVYRUCLOUCJTKOJ-UHFFFAOYSA-N
XLogP28.71
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001331.76
LogP ≤ 528.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-tert-butyl-3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-tert-butyl-3-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole with MolForge

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Related Compounds

9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729209
9-phenyl-3-[4-[10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-phenyl-3-[4-[4-[10-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 158416546
9-tert-butyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;N,9-diphenyl-N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
CID 160993422
9-tert-butylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;3-(9-tert-butylcarbazol-3-yl)-9-phenylcarbazole;9-tert-butyl-3,6-di(carbazol-9-yl)carbazole
CID 164959111
9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729215
9-[10-(2,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole
CID 130377424
9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158633984
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
9-ethyl-3-[4-[10-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-6-(4-phenylphenyl)carbazole;9-ethyl-3-[4-[4-[10-[4-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-6-(4-phenylphenyl)carbazole
CID 158925284
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
10-[4-(9-tert-butylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858561
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-tert-butyl-3-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole?
The IUPAC name of 9-tert-butyl-3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-tert-butyl-3-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole (CID 161436375) is 9-tert-butyl-3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-tert-butyl-3-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole.
What is the SMILES notation for 9-tert-butyl-3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-tert-butyl-3-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole?
The canonical SMILES for 9-tert-butyl-3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-tert-butyl-3-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole is CC(C)(C)n1c2ccccc2c2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5ccccc45)cc3)ccc21.CC(C)(C)n1c2ccccc2c2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccccc6)cc5)c5ccccc45)cc3)ccc21.
What is the InChIKey of 9-tert-butyl-3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-tert-butyl-3-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole?
The InChIKey is VYRUCLOUCJTKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41N.C48H37N/c1-54(2,3)55-50-20-12-11-15-44(50)49-35-43(33-34-51(49)55)40-27-31-42(32-28-40)53-47-18-9-7-16-45(47)52(46-17-8-10-19-48(46)53)41-29-25-39(26-30-41)38-23-21-37(22-24-38)36-13-5-4-6-14-36;1-48(2,3)49-44-20-12-11-15-38(44)43-31-37(29-30-45(43)49)34-23-27-36(28-24-34)47-41-18-9-7-16-39(41)46(40-17-8-10-19-42(40)47)35-25-21-33(22-26-35)32-13-5-4-6-14-32/h4-35H,1-3H3;4-31H,1-3H3.
What are the key properties of 9-tert-butyl-3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-tert-butyl-3-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole?
9-tert-butyl-3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-tert-butyl-3-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole has a molecular weight of 1331.76 g/mol, XLogP of 28.71, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-tert-butyl-3-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole is sourced from PubChem (CID 161436375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).