11-tert-butyl-9-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]carbazole

C44H33N — CID 176777726

IUPAC11-tert-butyl-9-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]carbazole
SMILESCC(C)(C)n1c2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2c2ccc3ccccc3c21
InChIInChI=1S/C44H33N/c1-44(2,3)45-40-27-30(24-25-33(40)39-26-23-29-14-5-7-17-32(29)43(39)45)41-35-18-8-10-20-37(35)42(38-21-11-9-19-36(38)41)34-22-12-15-28-13-4-6-16-31(28)34/h4-27H,1-3H3
InChIKeyLIKHQPCQELZSOL-UHFFFAOYSA-N
MW575.76 g/mol
LogP12.50
Rot. Bonds2

About 11-tert-butyl-9-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]carbazole

11-tert-butyl-9-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]carbazole (PubChem CID 176777726) has the molecular formula C44H33N and a molecular weight of 575.76 g/mol. Its IUPAC name is 11-tert-butyl-9-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]carbazole.

Molecular Properties

Compound Name11-tert-butyl-9-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]carbazole
PubChem CID176777726
Molecular FormulaC44H33N
Molecular Weight575.76 g/mol
Exact Mass575.26
IUPAC Name11-tert-butyl-9-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]carbazole
SMILESCC(C)(C)n1c2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2c2ccc3ccccc3c21
InChIInChI=1S/C44H33N/c1-44(2,3)45-40-27-30(24-25-33(40)39-26-23-29-14-5-7-17-32(29)43(39)45)41-35-18-8-10-20-37(35)42(38-21-11-9-19-36(38)41)34-22-12-15-28-13-4-6-16-31(28)34/h4-27H,1-3H3
InChIKeyLIKHQPCQELZSOL-UHFFFAOYSA-N
XLogP12.50
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.76
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-tert-butyl-4-(11-tert-butylbenzo[a]carbazol-8-yl)benzo[c]carbazole
CID 134255586
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
9-naphthalen-1-yl-10-naphthalen-2-yl-2-(2,3,4,5,6-pentamethylphenyl)anthracene
CID 153465608
9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene
CID 58194236
3,6-ditert-butyl-9-[4-(2-tert-butyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole
CID 163845433
9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene
CID 123515173
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
9-naphthalen-1-yl-10-[3-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene
CID 168786914
2-[3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]-5-phenylthiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]thiophene
CID 161381817
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 58322939
9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene
CID 58194333
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615

Frequently Asked Questions

What is the IUPAC name of 11-tert-butyl-9-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]carbazole?
The IUPAC name of 11-tert-butyl-9-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]carbazole (CID 176777726) is 11-tert-butyl-9-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]carbazole.
What is the SMILES notation for 11-tert-butyl-9-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]carbazole?
The canonical SMILES for 11-tert-butyl-9-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]carbazole is CC(C)(C)n1c2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2c2ccc3ccccc3c21.
What is the InChIKey of 11-tert-butyl-9-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]carbazole?
The InChIKey is LIKHQPCQELZSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33N/c1-44(2,3)45-40-27-30(24-25-33(40)39-26-23-29-14-5-7-17-32(29)43(39)45)41-35-18-8-10-20-37(35)42(38-21-11-9-19-36(38)41)34-22-12-15-28-13-4-6-16-31(28)34/h4-27H,1-3H3.
What are the key properties of 11-tert-butyl-9-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]carbazole?
11-tert-butyl-9-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]carbazole has a molecular weight of 575.76 g/mol, XLogP of 12.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-tert-butyl-9-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]carbazole is sourced from PubChem (CID 176777726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).