5-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene

C39H28 — CID 140710800

IUPAC5-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc5ccc6ccccc6c5c5ccccc45)cc3)cc21
InChIInChI=1S/C39H28/c1-39(2)36-14-8-7-12-32(36)33-22-21-28(24-37(33)39)25-15-17-27(18-16-25)35-23-29-20-19-26-9-3-4-10-30(26)38(29)34-13-6-5-11-31(34)35/h3-24H,1-2H3
InChIKeyBEQHUQBXHKAPDE-UHFFFAOYSA-N
MW496.65 g/mol
LogP10.79
Rot. Bonds2

About 5-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene

5-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene (PubChem CID 140710800) has the molecular formula C39H28 and a molecular weight of 496.65 g/mol. Its IUPAC name is 5-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene.

Molecular Properties

Compound Name5-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene
PubChem CID140710800
Molecular FormulaC39H28
Molecular Weight496.65 g/mol
Exact Mass496.22
IUPAC Name5-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc5ccc6ccccc6c5c5ccccc45)cc3)cc21
InChIInChI=1S/C39H28/c1-39(2)36-14-8-7-12-32(36)33-22-21-28(24-37(33)39)25-15-17-27(18-16-25)35-23-29-20-19-26-9-3-4-10-30(26)38(29)34-13-6-5-11-31(34)35/h3-24H,1-2H3
InChIKeyBEQHUQBXHKAPDE-UHFFFAOYSA-N
XLogP10.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.65
LogP ≤ 510.79
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-[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
8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-naphthalen-2-ylbenzo[c]phenanthrene
CID 59282421
5-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]benzo[c]phenanthrene
CID 58569078
5-(9,9-dimethylfluoren-3-yl)benzo[c]phenanthrene
CID 140710652
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
5-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]benzo[c]phenanthrene
CID 58569070
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
2-(7-benzo[c]phenanthren-2-yl-9,9-dimethylfluoren-2-yl)benzo[c]phenanthrene
CID 123543063
5,8-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[2-(4-phenylphenyl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(4-phenylphenyl)phenyl]benzo[c]phenanthrene
CID 158517485
9,9-dimethyl-N-[4-(9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 177100131
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

Frequently Asked Questions

What is the IUPAC name of 5-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene?
The IUPAC name of 5-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene (CID 140710800) is 5-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene.
What is the SMILES notation for 5-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene?
The canonical SMILES for 5-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc5ccc6ccccc6c5c5ccccc45)cc3)cc21.
What is the InChIKey of 5-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene?
The InChIKey is BEQHUQBXHKAPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28/c1-39(2)36-14-8-7-12-32(36)33-22-21-28(24-37(33)39)25-15-17-27(18-16-25)35-23-29-20-19-26-9-3-4-10-30(26)38(29)34-13-6-5-11-31(34)35/h3-24H,1-2H3.
What are the key properties of 5-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene?
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene has a molecular weight of 496.65 g/mol, XLogP of 10.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene is sourced from PubChem (CID 140710800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).