5-(9,9-dimethylfluoren-3-yl)benzo[c]phenanthrene

C33H24 — CID 140710652

IUPAC5-(9,9-dimethylfluoren-3-yl)benzo[c]phenanthrene
SMILESCC1(C)c2ccccc2-c2cc(-c3cc4ccc5ccccc5c4c4ccccc34)ccc21
InChIInChI=1S/C33H24/c1-33(2)30-14-8-7-12-26(30)29-19-22(17-18-31(29)33)28-20-23-16-15-21-9-3-4-10-24(21)32(23)27-13-6-5-11-25(27)28/h3-20H,1-2H3
InChIKeyZGIXIQCNZARYDR-UHFFFAOYSA-N
MW420.56 g/mol
LogP9.12
Rot. Bonds1

About 5-(9,9-dimethylfluoren-3-yl)benzo[c]phenanthrene

5-(9,9-dimethylfluoren-3-yl)benzo[c]phenanthrene (PubChem CID 140710652) has the molecular formula C33H24 and a molecular weight of 420.56 g/mol. Its IUPAC name is 5-(9,9-dimethylfluoren-3-yl)benzo[c]phenanthrene.

Molecular Properties

Compound Name5-(9,9-dimethylfluoren-3-yl)benzo[c]phenanthrene
PubChem CID140710652
Molecular FormulaC33H24
Molecular Weight420.56 g/mol
Exact Mass420.19
IUPAC Name5-(9,9-dimethylfluoren-3-yl)benzo[c]phenanthrene
SMILESCC1(C)c2ccccc2-c2cc(-c3cc4ccc5ccccc5c4c4ccccc34)ccc21
InChIInChI=1S/C33H24/c1-33(2)30-14-8-7-12-26(30)29-19-22(17-18-31(29)33)28-20-23-16-15-21-9-3-4-10-24(21)32(23)27-13-6-5-11-25(27)28/h3-20H,1-2H3
InChIKeyZGIXIQCNZARYDR-UHFFFAOYSA-N
XLogP9.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 59.12
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

8-(9,9-dimethylfluoren-3-yl)-5-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282369
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene
CID 140710800
9-(6-chloro-9,9-dimethylfluoren-3-yl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 177100625
5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;11,11-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b]fluorene
CID 160621159
N-(4-benzo[c]phenanthren-5-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 167182689
5-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]benzo[c]phenanthrene
CID 58569078
5-(9,9-dimethylfluoren-1-yl)benzo[c]phenanthrene
CID 140710620
4-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene
CID 58402146
5-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]benzo[c]phenanthrene
CID 58569538
5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;11,11-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b]fluorene
CID 160895073
9,9-dimethyl-3-(2-methylnaphthalen-1-yl)fluorene
CID 156896767
5-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]benzo[c]phenanthrene;5-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[4-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene
CID 158997069

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethylfluoren-3-yl)benzo[c]phenanthrene?
The IUPAC name of 5-(9,9-dimethylfluoren-3-yl)benzo[c]phenanthrene (CID 140710652) is 5-(9,9-dimethylfluoren-3-yl)benzo[c]phenanthrene.
What is the SMILES notation for 5-(9,9-dimethylfluoren-3-yl)benzo[c]phenanthrene?
The canonical SMILES for 5-(9,9-dimethylfluoren-3-yl)benzo[c]phenanthrene is CC1(C)c2ccccc2-c2cc(-c3cc4ccc5ccccc5c4c4ccccc34)ccc21.
What is the InChIKey of 5-(9,9-dimethylfluoren-3-yl)benzo[c]phenanthrene?
The InChIKey is ZGIXIQCNZARYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24/c1-33(2)30-14-8-7-12-26(30)29-19-22(17-18-31(29)33)28-20-23-16-15-21-9-3-4-10-24(21)32(23)27-13-6-5-11-25(27)28/h3-20H,1-2H3.
What are the key properties of 5-(9,9-dimethylfluoren-3-yl)benzo[c]phenanthrene?
5-(9,9-dimethylfluoren-3-yl)benzo[c]phenanthrene has a molecular weight of 420.56 g/mol, XLogP of 9.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,9-dimethylfluoren-3-yl)benzo[c]phenanthrene is sourced from PubChem (CID 140710652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).