2-anthracen-2-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;2-anthracen-9-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;1-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;9-tert-butyl-10-naphthalen-1-yl-2-phenanthren-2-ylanthracene

C214H160 — CID 161344956

IUPAC2-anthracen-2-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;2-anthracen-9-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;1-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;9-tert-butyl-10-naphthalen-1-yl-2-phenanthren-2-ylanthracene
SMILESCC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3c4ccccc4cc4ccccc34)cc12.CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3cc4ccc5cccc6ccc(c3)c4c56)cc12.CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc12.CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3ccc4cc5ccccc5cc4c3)cc12.CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc12
InChIInChI=1S/2C44H32.3C42H32/c1-44(2,3)43-38-16-7-6-15-36(38)42(35-17-9-11-27-10-4-5-14-34(27)35)37-23-22-30(26-39(37)43)33-24-31-20-18-28-12-8-13-29-19-21-32(25-33)41(31)40(28)29;1-44(2,3)43-38-16-7-6-15-35(38)42(34-17-9-11-27-10-4-5-14-32(27)34)37-25-22-31(26-39(37)43)33-23-20-30-19-18-28-12-8-13-29-21-24-36(33)41(30)40(28)29;1-42(2,3)41-37-21-11-10-20-35(37)40(34-22-12-16-27-13-4-7-17-31(27)34)36-24-23-30(26-38(36)41)39-32-18-8-5-14-28(32)25-29-15-6-9-19-33(29)39;1-42(2,3)41-38-17-9-8-16-36(38)40(35-18-10-13-27-11-4-7-15-33(27)35)37-24-22-30(26-39(37)41)29-21-23-34-31(25-29)20-19-28-12-5-6-14-32(28)34;1-42(2,3)41-38-17-9-8-16-36(38)40(35-18-10-14-27-11-6-7-15-34(27)35)37-22-21-32(26-39(37)41)30-19-20-31-23-28-12-4-5-13-29(28)24-33(31)25-30/h2*4-26H,1-3H3;3*4-26H,1-3H3
InChIKeyVNECEBSNKJVJEI-UHFFFAOYSA-N
MW2731.63 g/mol
LogP61.60
Rot. Bonds10

About 2-anthracen-2-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;2-anthracen-9-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;1-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;9-tert-butyl-10-naphthalen-1-yl-2-phenanthren-2-ylanthracene

2-anthracen-2-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;2-anthracen-9-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;1-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;9-tert-butyl-10-naphthalen-1-yl-2-phenanthren-2-ylanthracene (PubChem CID 161344956) has the molecular formula C214H160 and a molecular weight of 2731.63 g/mol. Its IUPAC name is 2-anthracen-2-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;2-anthracen-9-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;1-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;9-tert-butyl-10-naphthalen-1-yl-2-phenanthren-2-ylanthracene.

Molecular Properties

Compound Name2-anthracen-2-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;2-anthracen-9-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;1-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;9-tert-butyl-10-naphthalen-1-yl-2-phenanthren-2-ylanthracene
PubChem CID161344956
Molecular FormulaC214H160
Molecular Weight2731.63 g/mol
Exact Mass2729.25
IUPAC Name2-anthracen-2-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;2-anthracen-9-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;1-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;9-tert-butyl-10-naphthalen-1-yl-2-phenanthren-2-ylanthracene
SMILESCC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3c4ccccc4cc4ccccc34)cc12.CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3cc4ccc5cccc6ccc(c3)c4c56)cc12.CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc12.CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3ccc4cc5ccccc5cc4c3)cc12.CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc12
InChIInChI=1S/2C44H32.3C42H32/c1-44(2,3)43-38-16-7-6-15-36(38)42(35-17-9-11-27-10-4-5-14-34(27)35)37-23-22-30(26-39(37)43)33-24-31-20-18-28-12-8-13-29-19-21-32(25-33)41(31)40(28)29;1-44(2,3)43-38-16-7-6-15-35(38)42(34-17-9-11-27-10-4-5-14-32(27)34)37-25-22-31(26-39(37)43)33-23-20-30-19-18-28-12-8-13-29-21-24-36(33)41(30)40(28)29;1-42(2,3)41-37-21-11-10-20-35(37)40(34-22-12-16-27-13-4-7-17-31(27)34)36-24-23-30(26-38(36)41)39-32-18-8-5-14-28(32)25-29-15-6-9-19-33(29)39;1-42(2,3)41-38-17-9-8-16-36(38)40(35-18-10-13-27-11-4-7-15-33(27)35)37-24-22-30(26-39(37)41)29-21-23-34-31(25-29)20-19-28-12-5-6-14-32(28)34;1-42(2,3)41-38-17-9-8-16-36(38)40(35-18-10-14-27-11-6-7-15-34(27)35)37-22-21-32(26-39(37)41)30-19-20-31-23-28-12-4-5-13-29(28)24-33(31)25-30/h2*4-26H,1-3H3;3*4-26H,1-3H3
InChIKeyVNECEBSNKJVJEI-UHFFFAOYSA-N
XLogP61.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms214
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002731.63
LogP ≤ 561.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-anthracen-2-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;2-anthracen-9-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;1-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;9-tert-butyl-10-naphthalen-1-yl-2-phenanthren-2-ylanthracene with MolForge

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Related Compounds

1-[4-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)phenyl]pyrene
CID 123992521
8-(9-tert-butyl-10-naphthalen-2-ylanthracen-2-yl)fluoranthene;1-(9-tert-butyl-10-naphthalen-2-ylanthracen-2-yl)pyrene;2-(9-tert-butyl-10-naphthalen-2-ylanthracen-2-yl)pyrene;4-(9-tert-butyl-10-naphthalen-2-ylanthracen-2-yl)pyrene
CID 162218858
9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene
CID 123147035
9-tert-butyl-10-naphthalen-1-yl-2-phenanthren-9-ylanthracene
CID 123371385
9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 161108763
9-tert-butyl-2-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-ylanthracene
CID 123878906
9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 123978082
1-(2-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)pyrene
CID 58322883
8-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)fluoranthene
CID 123404270
4-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167412858
9,10-dinaphthalen-1-yl-2-phenanthren-9-ylanthracene;9,10-dinaphthalen-2-yl-2-phenanthren-9-ylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene;1-(2-phenanthren-9-yl-10-pyren-1-ylanthracen-9-yl)pyrene
CID 160675826
9,10-dinaphthalen-1-yl-2-naphthalen-2-ylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;2-(3-naphthalen-1-yl-10-pyren-1-ylanthracen-9-yl)triphenylene;2,9,10-trinaphthalen-2-ylanthracene
CID 159027158

Frequently Asked Questions

What is the IUPAC name of 2-anthracen-2-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;2-anthracen-9-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;1-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;9-tert-butyl-10-naphthalen-1-yl-2-phenanthren-2-ylanthracene?
The IUPAC name of 2-anthracen-2-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;2-anthracen-9-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;1-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;9-tert-butyl-10-naphthalen-1-yl-2-phenanthren-2-ylanthracene (CID 161344956) is 2-anthracen-2-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;2-anthracen-9-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;1-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;9-tert-butyl-10-naphthalen-1-yl-2-phenanthren-2-ylanthracene.
What is the SMILES notation for 2-anthracen-2-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;2-anthracen-9-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;1-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;9-tert-butyl-10-naphthalen-1-yl-2-phenanthren-2-ylanthracene?
The canonical SMILES for 2-anthracen-2-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;2-anthracen-9-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;1-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;9-tert-butyl-10-naphthalen-1-yl-2-phenanthren-2-ylanthracene is CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3c4ccccc4cc4ccccc34)cc12.CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3cc4ccc5cccc6ccc(c3)c4c56)cc12.CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc12.CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3ccc4cc5ccccc5cc4c3)cc12.CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc12.
What is the InChIKey of 2-anthracen-2-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;2-anthracen-9-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;1-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;9-tert-butyl-10-naphthalen-1-yl-2-phenanthren-2-ylanthracene?
The InChIKey is VNECEBSNKJVJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H32.3C42H32/c1-44(2,3)43-38-16-7-6-15-36(38)42(35-17-9-11-27-10-4-5-14-34(27)35)37-23-22-30(26-39(37)43)33-24-31-20-18-28-12-8-13-29-19-21-32(25-33)41(31)40(28)29;1-44(2,3)43-38-16-7-6-15-35(38)42(34-17-9-11-27-10-4-5-14-32(27)34)37-25-22-31(26-39(37)43)33-23-20-30-19-18-28-12-8-13-29-21-24-36(33)41(30)40(28)29;1-42(2,3)41-37-21-11-10-20-35(37)40(34-22-12-16-27-13-4-7-17-31(27)34)36-24-23-30(26-38(36)41)39-32-18-8-5-14-28(32)25-29-15-6-9-19-33(29)39;1-42(2,3)41-38-17-9-8-16-36(38)40(35-18-10-13-27-11-4-7-15-33(27)35)37-24-22-30(26-39(37)41)29-21-23-34-31(25-29)20-19-28-12-5-6-14-32(28)34;1-42(2,3)41-38-17-9-8-16-36(38)40(35-18-10-14-27-11-6-7-15-34(27)35)37-22-21-32(26-39(37)41)30-19-20-31-23-28-12-4-5-13-29(28)24-33(31)25-30/h2*4-26H,1-3H3;3*4-26H,1-3H3.
What are the key properties of 2-anthracen-2-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;2-anthracen-9-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;1-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;9-tert-butyl-10-naphthalen-1-yl-2-phenanthren-2-ylanthracene?
2-anthracen-2-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;2-anthracen-9-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;1-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;9-tert-butyl-10-naphthalen-1-yl-2-phenanthren-2-ylanthracene has a molecular weight of 2731.63 g/mol, XLogP of 61.60, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-2-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;2-anthracen-9-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;1-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;9-tert-butyl-10-naphthalen-1-yl-2-phenanthren-2-ylanthracene is sourced from PubChem (CID 161344956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).