10-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenanthren-9-ol

C29H26O — CID 139965265

IUPAC10-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenanthren-9-ol
SMILESCC1=C(C)C(c2ccccc2-c2c(O)c3ccccc3c3ccccc23)C(C)=C1C
InChIInChI=1S/C29H26O/c1-17-18(2)20(4)27(19(17)3)24-14-8-9-15-25(24)28-23-13-7-5-11-21(23)22-12-6-10-16-26(22)29(28)30/h5-16,27,30H,1-4H3
InChIKeyWCSRMRWOCQMVML-UHFFFAOYSA-N
MW390.53 g/mol
LogP8.14
Rot. Bonds2

About 10-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenanthren-9-ol

10-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenanthren-9-ol (PubChem CID 139965265) has the molecular formula C29H26O and a molecular weight of 390.53 g/mol. Its IUPAC name is 10-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenanthren-9-ol.

Molecular Properties

Compound Name10-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenanthren-9-ol
PubChem CID139965265
Molecular FormulaC29H26O
Molecular Weight390.53 g/mol
Exact Mass390.20
IUPAC Name10-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenanthren-9-ol
SMILESCC1=C(C)C(c2ccccc2-c2c(O)c3ccccc3c3ccccc23)C(C)=C1C
InChIInChI=1S/C29H26O/c1-17-18(2)20(4)27(19(17)3)24-14-8-9-15-25(24)28-23-13-7-5-11-21(23)22-12-6-10-16-26(22)29(28)30/h5-16,27,30H,1-4H3
InChIKeyWCSRMRWOCQMVML-UHFFFAOYSA-N
XLogP8.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 58.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenanthren-9-ol?
The IUPAC name of 10-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenanthren-9-ol (CID 139965265) is 10-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenanthren-9-ol.
What is the SMILES notation for 10-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenanthren-9-ol?
The canonical SMILES for 10-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenanthren-9-ol is CC1=C(C)C(c2ccccc2-c2c(O)c3ccccc3c3ccccc23)C(C)=C1C.
What is the InChIKey of 10-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenanthren-9-ol?
The InChIKey is WCSRMRWOCQMVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O/c1-17-18(2)20(4)27(19(17)3)24-14-8-9-15-25(24)28-23-13-7-5-11-21(23)22-12-6-10-16-26(22)29(28)30/h5-16,27,30H,1-4H3.
What are the key properties of 10-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenanthren-9-ol?
10-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenanthren-9-ol has a molecular weight of 390.53 g/mol, XLogP of 8.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenanthren-9-ol is sourced from PubChem (CID 139965265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).