2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-4-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;1-tert-butyl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene

C180H170 — CID 167578783

IUPAC2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-4-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;1-tert-butyl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
SMILESCC(C)(C)c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)c2)cc1.CC(C)(C)c1ccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)cc1.CC(C)(C)c1ccc2c(ccc3ccccc32)c1.CC(C)(C)c1cccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)c2)c1.CC(C)(C)c1cccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)c1.CC(C)(C)c1cccc(-c2cccc(-c3ccccc3)c2)c1.CC(C)(C)c1cccc(-c2ccccc2)c1
InChIInChI=1S/2C34H30.2C28H26.C22H22.C18H18.C16H18/c1-34(2,3)33-20-10-19-32(24-33)31-18-9-17-30(23-31)29-16-8-15-28(22-29)27-14-7-13-26(21-27)25-11-5-4-6-12-25;1-34(2,3)33-20-18-26(19-21-33)28-13-8-15-30(23-28)32-17-9-16-31(24-32)29-14-7-12-27(22-29)25-10-5-4-6-11-25;1-28(2,3)27-17-9-16-26(20-27)25-15-8-14-24(19-25)23-13-7-12-22(18-23)21-10-5-4-6-11-21;1-28(2,3)27-17-15-22(16-18-27)24-12-8-14-26(20-24)25-13-7-11-23(19-25)21-9-5-4-6-10-21;1-22(2,3)21-14-8-13-20(16-21)19-12-7-11-18(15-19)17-9-5-4-6-10-17;1-18(2,3)15-10-11-17-14(12-15)9-8-13-6-4-5-7-16(13)17;1-16(2,3)15-11-7-10-14(12-15)13-8-5-4-6-9-13/h2*4-24H,1-3H3;2*4-20H,1-3H3;4-16H,1-3H3;4-12H,1-3H3;4-12H,1-3H3
InChIKeyGWSSMARNAIDHOF-UHFFFAOYSA-N
MW2333.34 g/mol
LogP51.53
Rot. Bonds17

About 2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-4-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;1-tert-butyl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene

2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-4-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;1-tert-butyl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene (PubChem CID 167578783) has the molecular formula C180H170 and a molecular weight of 2333.34 g/mol. Its IUPAC name is 2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-4-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;1-tert-butyl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene.

Molecular Properties

Compound Name2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-4-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;1-tert-butyl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
PubChem CID167578783
Molecular FormulaC180H170
Molecular Weight2333.34 g/mol
Exact Mass2331.33
IUPAC Name2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-4-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;1-tert-butyl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
SMILESCC(C)(C)c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)c2)cc1.CC(C)(C)c1ccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)cc1.CC(C)(C)c1ccc2c(ccc3ccccc32)c1.CC(C)(C)c1cccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)c2)c1.CC(C)(C)c1cccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)c1.CC(C)(C)c1cccc(-c2cccc(-c3ccccc3)c2)c1.CC(C)(C)c1cccc(-c2ccccc2)c1
InChIInChI=1S/2C34H30.2C28H26.C22H22.C18H18.C16H18/c1-34(2,3)33-20-10-19-32(24-33)31-18-9-17-30(23-31)29-16-8-15-28(22-29)27-14-7-13-26(21-27)25-11-5-4-6-12-25;1-34(2,3)33-20-18-26(19-21-33)28-13-8-15-30(23-28)32-17-9-16-31(24-32)29-14-7-12-27(22-29)25-10-5-4-6-11-25;1-28(2,3)27-17-9-16-26(20-27)25-15-8-14-24(19-25)23-13-7-12-22(18-23)21-10-5-4-6-11-21;1-28(2,3)27-17-15-22(16-18-27)24-12-8-14-26(20-24)25-13-7-11-23(19-25)21-9-5-4-6-10-21;1-22(2,3)21-14-8-13-20(16-21)19-12-7-11-18(15-19)17-9-5-4-6-10-17;1-18(2,3)15-10-11-17-14(12-15)9-8-13-6-4-5-7-16(13)17;1-16(2,3)15-11-7-10-14(12-15)13-8-5-4-6-9-13/h2*4-24H,1-3H3;2*4-20H,1-3H3;4-16H,1-3H3;4-12H,1-3H3;4-12H,1-3H3
InChIKeyGWSSMARNAIDHOF-UHFFFAOYSA-N
XLogP51.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms180
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002333.34
LogP ≤ 551.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-4-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;1-tert-butyl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene with MolForge

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Related Compounds

2-tert-butylchrysene;2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;3-tert-butylpicene
CID 158261275
tert-butylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-(4-phenylphenyl)benzene;1-tert-butyl-4-(3-phenylphenyl)benzene;1-tert-butyl-4-(4-phenylphenyl)benzene;1,4-ditert-butylbenzene
CID 162095144
2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene
CID 159502457
1-tert-butyl-3-(4-tert-butylphenyl)benzene
CID 12682933
9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 58590190
anthracene;tris(1,1'-biphenyl);tert-butylbenzene;heptakis(2,2-dimethylpropane);ethane;naphthalene;phenanthrene;toluene
CID 163831786
N,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 164956359
2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene
CID 58672219
7-tert-butyl-3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4(9),5,7,10,12,15,17,19,21-undecaene;18-tert-butyl-3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene;7-tert-butyl-3,10-dinaphthalen-2-yl-18-phenylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4(9),5,7,10,12,15(20),16,18,21-undecaene
CID 157104770
1-(4-tert-butylphenyl)phenanthrene
CID 160779403
10-tert-butyl-3-phenylphenanthrene
CID 164811784
2-[(4-tert-butylphenyl)methyl]phenanthrene;1-[4-[(3,5-diphenylphenyl)methyl]phenyl]naphthalene;1,3-diphenyl-5-[(4-phenylphenyl)methyl]benzene;1-[4-(naphthalen-2-ylmethyl)phenyl]naphthalene;1-[3-[(3-naphthalen-1-ylphenyl)methyl]phenyl]naphthalene;1-[4-[(3-phenylphenyl)methyl]phenyl]naphthalene
CID 160912130

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-4-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;1-tert-butyl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene?
The IUPAC name of 2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-4-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;1-tert-butyl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene (CID 167578783) is 2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-4-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;1-tert-butyl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene.
What is the SMILES notation for 2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-4-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;1-tert-butyl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene?
The canonical SMILES for 2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-4-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;1-tert-butyl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene is CC(C)(C)c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)c2)cc1.CC(C)(C)c1ccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)cc1.CC(C)(C)c1ccc2c(ccc3ccccc32)c1.CC(C)(C)c1cccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)c2)c1.CC(C)(C)c1cccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)c1.CC(C)(C)c1cccc(-c2cccc(-c3ccccc3)c2)c1.CC(C)(C)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-4-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;1-tert-butyl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene?
The InChIKey is GWSSMARNAIDHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H30.2C28H26.C22H22.C18H18.C16H18/c1-34(2,3)33-20-10-19-32(24-33)31-18-9-17-30(23-31)29-16-8-15-28(22-29)27-14-7-13-26(21-27)25-11-5-4-6-12-25;1-34(2,3)33-20-18-26(19-21-33)28-13-8-15-30(23-28)32-17-9-16-31(24-32)29-14-7-12-27(22-29)25-10-5-4-6-11-25;1-28(2,3)27-17-9-16-26(20-27)25-15-8-14-24(19-25)23-13-7-12-22(18-23)21-10-5-4-6-11-21;1-28(2,3)27-17-15-22(16-18-27)24-12-8-14-26(20-24)25-13-7-11-23(19-25)21-9-5-4-6-10-21;1-22(2,3)21-14-8-13-20(16-21)19-12-7-11-18(15-19)17-9-5-4-6-10-17;1-18(2,3)15-10-11-17-14(12-15)9-8-13-6-4-5-7-16(13)17;1-16(2,3)15-11-7-10-14(12-15)13-8-5-4-6-9-13/h2*4-24H,1-3H3;2*4-20H,1-3H3;4-16H,1-3H3;4-12H,1-3H3;4-12H,1-3H3.
What are the key properties of 2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-4-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;1-tert-butyl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene?
2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-4-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;1-tert-butyl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene has a molecular weight of 2333.34 g/mol, XLogP of 51.53, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-4-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;1-tert-butyl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene is sourced from PubChem (CID 167578783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).