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

C128H96 — CID 160643869

IUPAC4-(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
SMILESCC(C)(C)c1c2ccccc2c(-c2cccc(-c3ccccc3)c2)c2ccc(-c3ccc4c(c3)-c3cccc5cccc-4c35)cc12.CC(C)(C)c1c2ccccc2c(-c2ccccc2)c2ccc(-c3cc4cccc5ccc6cccc3c6c54)cc12.CC(C)(C)c1c2ccccc2c(-c2ccccc2)c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc12
InChIInChI=1S/C46H34.C42H32.C40H30/c1-46(2,3)45-40-19-8-7-18-37(40)44(34-17-9-16-31(26-34)29-12-5-4-6-13-29)39-25-23-33(28-42(39)45)32-22-24-35-36-20-10-14-30-15-11-21-38(43(30)36)41(35)27-32;1-42(2,3)41-37-20-12-11-19-35(37)40(27-13-5-4-6-14-27)36-24-22-29(26-39(36)41)28-21-23-34-32-17-8-7-15-30(32)31-16-9-10-18-33(31)38(34)25-28;1-40(2,3)39-33-17-8-7-16-30(33)37(25-11-5-4-6-12-25)32-22-21-28(23-35(32)39)34-24-29-15-9-13-26-19-20-27-14-10-18-31(34)38(27)36(26)29/h4-28H,1-3H3;4-26H,1-3H3;4-24H,1-3H3
InChIKeyRJNKVIAJIBPODK-UHFFFAOYSA-N
MW1634.18 g/mol
LogP36.70
Rot. Bonds7

About 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

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 (PubChem CID 160643869) has the molecular formula C128H96 and a molecular weight of 1634.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID160643869
Molecular FormulaC128H96
Molecular Weight1634.18 g/mol
Exact Mass1632.75
IUPAC Name4-(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
SMILESCC(C)(C)c1c2ccccc2c(-c2cccc(-c3ccccc3)c2)c2ccc(-c3ccc4c(c3)-c3cccc5cccc-4c35)cc12.CC(C)(C)c1c2ccccc2c(-c2ccccc2)c2ccc(-c3cc4cccc5ccc6cccc3c6c54)cc12.CC(C)(C)c1c2ccccc2c(-c2ccccc2)c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc12
InChIInChI=1S/C46H34.C42H32.C40H30/c1-46(2,3)45-40-19-8-7-18-37(40)44(34-17-9-16-31(26-34)29-12-5-4-6-13-29)39-25-23-33(28-42(39)45)32-22-24-35-36-20-10-14-30-15-11-21-38(43(30)36)41(35)27-32;1-42(2,3)41-37-20-12-11-19-35(37)40(27-13-5-4-6-14-27)36-24-22-29(26-39(36)41)28-21-23-34-32-17-8-7-15-30(32)31-16-9-10-18-33(31)38(34)25-28;1-40(2,3)39-33-17-8-7-16-30(33)37(25-11-5-4-6-12-25)32-22-21-28(23-35(32)39)34-24-29-15-9-13-26-19-20-27-14-10-18-31(34)38(27)36(26)29/h4-28H,1-3H3;4-26H,1-3H3;4-24H,1-3H3
InChIKeyRJNKVIAJIBPODK-UHFFFAOYSA-N
XLogP36.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001634.18
LogP ≤ 536.70
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'}

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Related Compounds

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
8-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)fluoranthene
CID 123404270
1-[4-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)phenyl]pyrene
CID 123992521
9-(3-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;1-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyrene
CID 165031655
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
9,10-dinaphthalen-2-yl-2-phenylanthracene;ethane;3-phenylfluoranthene;9-phenylphenanthrene;1-phenylpyrene;2-phenyltriphenylene;pentakis(yttrium)
CID 159158048
1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene
CID 59859301
7,12-diphenyl-9-(8-phenylfluoranthen-3-yl)benzo[k]fluoranthene
CID 59326163
4-fluoranthen-8-yl-7,9,12-triphenylbenzo[k]fluoranthene
CID 58390175
9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylphenyl)anthracene
CID 123351108
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1c2ccccc2c(-c2cccc(-c3ccccc3)c2)c2ccc(-c3ccc4c(c3)-c3cccc5cccc-4c35)cc12.CC(C)(C)c1c2ccccc2c(-c2ccccc2)c2ccc(-c3cc4cccc5ccc6cccc3c6c54)cc12.CC(C)(C)c1c2ccccc2c(-c2ccccc2)c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc12.
What is the InChIKey of 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?
The InChIKey is RJNKVIAJIBPODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34.C42H32.C40H30/c1-46(2,3)45-40-19-8-7-18-37(40)44(34-17-9-16-31(26-34)29-12-5-4-6-13-29)39-25-23-33(28-42(39)45)32-22-24-35-36-20-10-14-30-15-11-21-38(43(30)36)41(35)27-32;1-42(2,3)41-37-20-12-11-19-35(37)40(27-13-5-4-6-14-27)36-24-22-29(26-39(36)41)28-21-23-34-32-17-8-7-15-30(32)31-16-9-10-18-33(31)38(34)25-28;1-40(2,3)39-33-17-8-7-16-30(33)37(25-11-5-4-6-12-25)32-22-21-28(23-35(32)39)34-24-29-15-9-13-26-19-20-27-14-10-18-31(34)38(27)36(26)29/h4-28H,1-3H3;4-26H,1-3H3;4-24H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1634.18 g/mol, XLogP of 36.70, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160643869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).