10-tert-butyl-3-phenylphenanthrene

C24H22 — CID 164811784

IUPAC10-tert-butyl-3-phenylphenanthrene
SMILESCC(C)(C)c1cc2ccccc2c2cc(-c3ccccc3)ccc12
InChIInChI=1S/C24H22/c1-24(2,3)23-16-19-11-7-8-12-20(19)22-15-18(13-14-21(22)23)17-9-5-4-6-10-17/h4-16H,1-3H3
InChIKeyMQAKIRDXKRYVSE-UHFFFAOYSA-N
MW310.44 g/mol
LogP6.96
Rot. Bonds1

About 10-tert-butyl-3-phenylphenanthrene

10-tert-butyl-3-phenylphenanthrene (PubChem CID 164811784) has the molecular formula C24H22 and a molecular weight of 310.44 g/mol. Its IUPAC name is 10-tert-butyl-3-phenylphenanthrene.

Molecular Properties

Compound Name10-tert-butyl-3-phenylphenanthrene
PubChem CID164811784
Molecular FormulaC24H22
Molecular Weight310.44 g/mol
Exact Mass310.17
IUPAC Name10-tert-butyl-3-phenylphenanthrene
SMILESCC(C)(C)c1cc2ccccc2c2cc(-c3ccccc3)ccc12
InChIInChI=1S/C24H22/c1-24(2,3)23-16-19-11-7-8-12-20(19)22-15-18(13-14-21(22)23)17-9-5-4-6-10-17/h4-16H,1-3H3
InChIKeyMQAKIRDXKRYVSE-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

10-tert-butylpentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 140946759
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
3-chrysen-3-yl-9-phenylchrysene
CID 140818401
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
6-phenylheptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15,17,19,21,23(27),24-tetradecaene
CID 59642860
2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene
CID 59745944
5-tert-butylchrysene
CID 140946805
2,7-di(phenanthren-2-yl)triphenylene
CID 58160997
2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629194
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355
4-tert-butyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 176757426

Frequently Asked Questions

What is the IUPAC name of 10-tert-butyl-3-phenylphenanthrene?
The IUPAC name of 10-tert-butyl-3-phenylphenanthrene (CID 164811784) is 10-tert-butyl-3-phenylphenanthrene.
What is the SMILES notation for 10-tert-butyl-3-phenylphenanthrene?
The canonical SMILES for 10-tert-butyl-3-phenylphenanthrene is CC(C)(C)c1cc2ccccc2c2cc(-c3ccccc3)ccc12.
What is the InChIKey of 10-tert-butyl-3-phenylphenanthrene?
The InChIKey is MQAKIRDXKRYVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22/c1-24(2,3)23-16-19-11-7-8-12-20(19)22-15-18(13-14-21(22)23)17-9-5-4-6-10-17/h4-16H,1-3H3.
What are the key properties of 10-tert-butyl-3-phenylphenanthrene?
10-tert-butyl-3-phenylphenanthrene has a molecular weight of 310.44 g/mol, XLogP of 6.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-tert-butyl-3-phenylphenanthrene is sourced from PubChem (CID 164811784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).