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

C176H128 — CID 162218858

IUPAC8-(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
SMILESCC(C)(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccc(-c3cc4ccc5cccc6ccc(c3)c4c56)cc12.CC(C)(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccc(-c3cc4cccc5ccc6cccc3c6c54)cc12.CC(C)(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccc(-c3ccc4c(c3)-c3cccc5cccc-4c35)cc12.CC(C)(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc12
InChIInChI=1S/4C44H32/c1-44(2,3)43-37-16-7-6-15-34(37)41(33-21-18-27-10-4-5-11-30(27)24-33)36-23-22-31(25-39(36)43)38-26-32-14-8-12-28-19-20-29-13-9-17-35(38)42(29)40(28)32;1-44(2,3)43-38-15-7-6-14-35(38)42(32-19-18-27-10-4-5-11-29(27)24-32)37-23-21-31(26-40(37)43)30-20-22-33-34-16-8-12-28-13-9-17-36(41(28)34)39(33)25-30;1-44(2,3)43-38-14-7-6-13-36(38)42(34-18-15-27-9-4-5-10-30(27)23-34)37-22-21-31(26-39(37)43)35-24-32-19-16-28-11-8-12-29-17-20-33(25-35)41(32)40(28)29;1-44(2,3)43-38-14-7-6-13-35(38)41(33-18-15-27-9-4-5-10-31(27)25-33)37-24-21-32(26-39(37)43)34-22-19-30-17-16-28-11-8-12-29-20-23-36(34)42(30)40(28)29/h4*4-26H,1-3H3
InChIKeyZTVRFNYIBFNFMR-UHFFFAOYSA-N
MW2242.96 g/mol
LogP50.60
Rot. Bonds8

About 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

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 (PubChem CID 162218858) has the molecular formula C176H128 and a molecular weight of 2242.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-(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
PubChem CID162218858
Molecular FormulaC176H128
Molecular Weight2242.96 g/mol
Exact Mass2241.00
IUPAC Name8-(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
SMILESCC(C)(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccc(-c3cc4ccc5cccc6ccc(c3)c4c56)cc12.CC(C)(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccc(-c3cc4cccc5ccc6cccc3c6c54)cc12.CC(C)(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccc(-c3ccc4c(c3)-c3cccc5cccc-4c35)cc12.CC(C)(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc12
InChIInChI=1S/4C44H32/c1-44(2,3)43-37-16-7-6-15-34(37)41(33-21-18-27-10-4-5-11-30(27)24-33)36-23-22-31(25-39(36)43)38-26-32-14-8-12-28-19-20-29-13-9-17-35(38)42(29)40(28)32;1-44(2,3)43-38-15-7-6-14-35(38)42(32-19-18-27-10-4-5-11-29(27)24-32)37-23-21-31(26-40(37)43)30-20-22-33-34-16-8-12-28-13-9-17-36(41(28)34)39(33)25-30;1-44(2,3)43-38-14-7-6-13-36(38)42(34-18-15-27-9-4-5-10-30(27)23-34)37-22-21-31(26-39(37)43)35-24-32-19-16-28-11-8-12-29-17-20-33(25-35)41(32)40(28)29;1-44(2,3)43-38-14-7-6-13-35(38)41(33-18-15-27-9-4-5-10-31(27)25-33)37-24-21-32(26-39(37)43)34-22-19-30-17-16-28-11-8-12-29-20-23-36(34)42(30)40(28)29/h4*4-26H,1-3H3
InChIKeyZTVRFNYIBFNFMR-UHFFFAOYSA-N
XLogP50.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms176
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002242.96
LogP ≤ 550.60
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 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 with MolForge

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Related Compounds

4-(9-tert-butyl-10-phenylanthracen-2-yl)pyrene;2-(9-tert-butyl-10-phenylanthracen-2-yl)triphenylene;8-[9-tert-butyl-10-(3-phenylphenyl)anthracen-2-yl]fluoranthene
CID 160643869
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
8-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)fluoranthene
CID 123404270
9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene
CID 123147035
1-[4-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)phenyl]pyrene
CID 123992521
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
9,10-dinaphthalen-2-yl-2-phenylanthracene;ethane;3-phenylfluoranthene;9-phenylphenanthrene;1-phenylpyrene;2-phenyltriphenylene;pentakis(yttrium)
CID 159158048
1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene
CID 142727128
3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 166019533
7-tert-butyl-1-(6-phenanthren-1-ylnaphthalen-2-yl)pyrene
CID 59629654
3-(2-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)fluoranthene
CID 58323557
5-naphthalen-1-yl-13-naphthalen-2-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
CID 155767823

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccc(-c3cc4ccc5cccc6ccc(c3)c4c56)cc12.CC(C)(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccc(-c3cc4cccc5ccc6cccc3c6c54)cc12.CC(C)(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccc(-c3ccc4c(c3)-c3cccc5cccc-4c35)cc12.CC(C)(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc12.
What is the InChIKey of 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?
The InChIKey is ZTVRFNYIBFNFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/4C44H32/c1-44(2,3)43-37-16-7-6-15-34(37)41(33-21-18-27-10-4-5-11-30(27)24-33)36-23-22-31(25-39(36)43)38-26-32-14-8-12-28-19-20-29-13-9-17-35(38)42(29)40(28)32;1-44(2,3)43-38-15-7-6-14-35(38)42(32-19-18-27-10-4-5-11-29(27)24-32)37-23-21-31(26-40(37)43)30-20-22-33-34-16-8-12-28-13-9-17-36(41(28)34)39(33)25-30;1-44(2,3)43-38-14-7-6-13-36(38)42(34-18-15-27-9-4-5-10-30(27)23-34)37-22-21-31(26-39(37)43)35-24-32-19-16-28-11-8-12-29-17-20-33(25-35)41(32)40(28)29;1-44(2,3)43-38-14-7-6-13-35(38)41(33-18-15-27-9-4-5-10-31(27)25-33)37-24-21-32(26-39(37)43)34-22-19-30-17-16-28-11-8-12-29-20-23-36(34)42(30)40(28)29/h4*4-26H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 2242.96 g/mol, XLogP of 50.60, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162218858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).