5-(9,9-dimethylfluoren-1-yl)benzo[c]phenanthrene

C33H24 — CID 140710620

IUPAC5-(9,9-dimethylfluoren-1-yl)benzo[c]phenanthrene
SMILESCC1(C)c2ccccc2-c2cccc(-c3cc4ccc5ccccc5c4c4ccccc34)c21
InChIInChI=1S/C33H24/c1-33(2)30-17-8-7-13-25(30)27-15-9-16-28(32(27)33)29-20-22-19-18-21-10-3-4-11-23(21)31(22)26-14-6-5-12-24(26)29/h3-20H,1-2H3
InChIKeyAAHIUHFHVLHCST-UHFFFAOYSA-N
MW420.56 g/mol
LogP9.12
Rot. Bonds1

About 5-(9,9-dimethylfluoren-1-yl)benzo[c]phenanthrene

5-(9,9-dimethylfluoren-1-yl)benzo[c]phenanthrene (PubChem CID 140710620) has the molecular formula C33H24 and a molecular weight of 420.56 g/mol. Its IUPAC name is 5-(9,9-dimethylfluoren-1-yl)benzo[c]phenanthrene.

Molecular Properties

Compound Name5-(9,9-dimethylfluoren-1-yl)benzo[c]phenanthrene
PubChem CID140710620
Molecular FormulaC33H24
Molecular Weight420.56 g/mol
Exact Mass420.19
IUPAC Name5-(9,9-dimethylfluoren-1-yl)benzo[c]phenanthrene
SMILESCC1(C)c2ccccc2-c2cccc(-c3cc4ccc5ccccc5c4c4ccccc34)c21
InChIInChI=1S/C33H24/c1-33(2)30-17-8-7-13-25(30)27-15-9-16-28(32(27)33)29-20-22-19-18-21-10-3-4-11-23(21)31(22)26-14-6-5-12-24(26)29/h3-20H,1-2H3
InChIKeyAAHIUHFHVLHCST-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

5-(9,9-dimethylfluoren-1-yl)-8-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282310
9,9-dimethyl-1-naphthalen-1-ylfluorene
CID 144938636
5-(9,9-dimethylfluoren-3-yl)benzo[c]phenanthrene
CID 140710652
5-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]benzo[c]phenanthrene
CID 58569538
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene
CID 140710800
11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
8-(9,9-dimethylfluoren-3-yl)-5-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282369
5-[4-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-1-yl]benzo[c]phenanthrene;5-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]benzo[c]phenanthrene;5-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzo[c]phenanthrene;5-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]benzo[c]phenanthrene;5-[7-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzo[c]phenanthrene;5-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]benzo[c]phenanthrene;5-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene
CID 159950720
3-[3,5-bis(9,9-dimethylfluoren-1-yl)phenyl]phenanthrene
CID 123769360
11,11-dimethylindeno[2,1-a]phenanthrene;ethane
CID 144670680
11,11-dimethylindeno[2,1-a]phenanthrene;ethane
CID 91470717
19,19-dimethyl-7-naphthalen-1-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11(16),12,14,17-nonaene
CID 171742619

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethylfluoren-1-yl)benzo[c]phenanthrene?
The IUPAC name of 5-(9,9-dimethylfluoren-1-yl)benzo[c]phenanthrene (CID 140710620) is 5-(9,9-dimethylfluoren-1-yl)benzo[c]phenanthrene.
What is the SMILES notation for 5-(9,9-dimethylfluoren-1-yl)benzo[c]phenanthrene?
The canonical SMILES for 5-(9,9-dimethylfluoren-1-yl)benzo[c]phenanthrene is CC1(C)c2ccccc2-c2cccc(-c3cc4ccc5ccccc5c4c4ccccc34)c21.
What is the InChIKey of 5-(9,9-dimethylfluoren-1-yl)benzo[c]phenanthrene?
The InChIKey is AAHIUHFHVLHCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24/c1-33(2)30-17-8-7-13-25(30)27-15-9-16-28(32(27)33)29-20-22-19-18-21-10-3-4-11-23(21)31(22)26-14-6-5-12-24(26)29/h3-20H,1-2H3.
What are the key properties of 5-(9,9-dimethylfluoren-1-yl)benzo[c]phenanthrene?
5-(9,9-dimethylfluoren-1-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-1-yl)benzo[c]phenanthrene is sourced from PubChem (CID 140710620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).