9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene

C38H30 — CID 59592442

IUPAC9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C38H30/c1-38(2,3)27-22-20-25(21-23-27)36-31-16-8-10-18-33(31)37(34-19-11-9-17-32(34)36)35-24-26-12-4-5-13-28(26)29-14-6-7-15-30(29)35/h4-24H,1-3H3
InChIKeyDQFZJXLPYLZGDU-UHFFFAOYSA-N
MW486.66 g/mol
LogP10.93
Rot. Bonds2

About 9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene

9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene (PubChem CID 59592442) has the molecular formula C38H30 and a molecular weight of 486.66 g/mol. Its IUPAC name is 9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene.

Molecular Properties

Compound Name9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene
PubChem CID59592442
Molecular FormulaC38H30
Molecular Weight486.66 g/mol
Exact Mass486.23
IUPAC Name9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C38H30/c1-38(2,3)27-22-20-25(21-23-27)36-31-16-8-10-18-33(31)37(34-19-11-9-17-32(34)36)35-24-26-12-4-5-13-28(26)29-14-6-7-15-30(29)35/h4-24H,1-3H3
InChIKeyDQFZJXLPYLZGDU-UHFFFAOYSA-N
XLogP10.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 510.93
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

9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 59793080
9-phenanthren-9-yl-10-phenylanthracene
CID 59592440
2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene
CID 156622206
2,3-bis(4-tert-butylphenyl)-1-iodonaphthalene
CID 141284541
9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 58323135
2-phenyl-10-(10-phenylanthracen-9-yl)phenanthrene
CID 123229235
9-(4-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
CID 123968907
9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene
CID 59858844
[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]boronic acid
CID 90071208
2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene
CID 59583053
25,25-ditert-butyl-17-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 140725392
9-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene;9-phenanthren-9-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 159797606

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene?
The IUPAC name of 9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene (CID 59592442) is 9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene.
What is the SMILES notation for 9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene?
The canonical SMILES for 9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene is CC(C)(C)c1ccc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene?
The InChIKey is DQFZJXLPYLZGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30/c1-38(2,3)27-22-20-25(21-23-27)36-31-16-8-10-18-33(31)37(34-19-11-9-17-32(34)36)35-24-26-12-4-5-13-28(26)29-14-6-7-15-30(29)35/h4-24H,1-3H3.
What are the key properties of 9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene?
9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene has a molecular weight of 486.66 g/mol, XLogP of 10.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene is sourced from PubChem (CID 59592442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).