5-[3-[6-(9,9-dimethylfluoren-2-yl)-2,3-dihydronaphthalen-2-yl]phenyl]benzo[c]phenanthrene

C49H36 — CID 123814732

IUPAC5-[3-[6-(9,9-dimethylfluoren-2-yl)-2,3-dihydronaphthalen-2-yl]phenyl]benzo[c]phenanthrene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)=CCC(c3cccc(-c5cc6ccc7ccccc7c6c6ccccc56)c3)C=4)cc21
InChIInChI=1S/C49H36/c1-49(2)46-17-8-7-15-42(46)43-25-24-37(30-47(43)49)36-22-21-34-26-33(19-20-35(34)27-36)32-11-9-12-38(28-32)45-29-39-23-18-31-10-3-4-13-40(31)48(39)44-16-6-5-14-41(44)45/h3-18,20-30,33H,19H2,1-2H3
InChIKeyRVVMEBLHZSCMDH-UHFFFAOYSA-N
MW624.83 g/mol
LogP11.53
Rot. Bonds3

About 5-[3-[6-(9,9-dimethylfluoren-2-yl)-2,3-dihydronaphthalen-2-yl]phenyl]benzo[c]phenanthrene

5-[3-[6-(9,9-dimethylfluoren-2-yl)-2,3-dihydronaphthalen-2-yl]phenyl]benzo[c]phenanthrene (PubChem CID 123814732) has the molecular formula C49H36 and a molecular weight of 624.83 g/mol. Its IUPAC name is 5-[3-[6-(9,9-dimethylfluoren-2-yl)-2,3-dihydronaphthalen-2-yl]phenyl]benzo[c]phenanthrene.

Molecular Properties

Compound Name5-[3-[6-(9,9-dimethylfluoren-2-yl)-2,3-dihydronaphthalen-2-yl]phenyl]benzo[c]phenanthrene
PubChem CID123814732
Molecular FormulaC49H36
Molecular Weight624.83 g/mol
Exact Mass624.28
IUPAC Name5-[3-[6-(9,9-dimethylfluoren-2-yl)-2,3-dihydronaphthalen-2-yl]phenyl]benzo[c]phenanthrene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)=CCC(c3cccc(-c5cc6ccc7ccccc7c6c6ccccc56)c3)C=4)cc21
InChIInChI=1S/C49H36/c1-49(2)46-17-8-7-15-42(46)43-25-24-37(30-47(43)49)36-22-21-34-26-33(19-20-35(34)27-36)32-11-9-12-38(28-32)45-29-39-23-18-31-10-3-4-13-40(31)48(39)44-16-6-5-14-41(44)45/h3-18,20-30,33H,19H2,1-2H3
InChIKeyRVVMEBLHZSCMDH-UHFFFAOYSA-N
XLogP11.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.83
LogP ≤ 511.53
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-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]benzo[c]phenanthrene
CID 58569070
5-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]benzo[c]phenanthrene
CID 58569078
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene
CID 140710800
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
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-[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
8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-naphthalen-2-ylbenzo[c]phenanthrene
CID 59282421
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-(9,9-dimethylfluoren-3-yl)benzo[c]phenanthrene
CID 140710652
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
12-(7-fluoranthen-3-yl-9,9-dimethylfluoren-2-yl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 58569298

Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-(9,9-dimethylfluoren-2-yl)-2,3-dihydronaphthalen-2-yl]phenyl]benzo[c]phenanthrene?
The IUPAC name of 5-[3-[6-(9,9-dimethylfluoren-2-yl)-2,3-dihydronaphthalen-2-yl]phenyl]benzo[c]phenanthrene (CID 123814732) is 5-[3-[6-(9,9-dimethylfluoren-2-yl)-2,3-dihydronaphthalen-2-yl]phenyl]benzo[c]phenanthrene.
What is the SMILES notation for 5-[3-[6-(9,9-dimethylfluoren-2-yl)-2,3-dihydronaphthalen-2-yl]phenyl]benzo[c]phenanthrene?
The canonical SMILES for 5-[3-[6-(9,9-dimethylfluoren-2-yl)-2,3-dihydronaphthalen-2-yl]phenyl]benzo[c]phenanthrene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)=CCC(c3cccc(-c5cc6ccc7ccccc7c6c6ccccc56)c3)C=4)cc21.
What is the InChIKey of 5-[3-[6-(9,9-dimethylfluoren-2-yl)-2,3-dihydronaphthalen-2-yl]phenyl]benzo[c]phenanthrene?
The InChIKey is RVVMEBLHZSCMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36/c1-49(2)46-17-8-7-15-42(46)43-25-24-37(30-47(43)49)36-22-21-34-26-33(19-20-35(34)27-36)32-11-9-12-38(28-32)45-29-39-23-18-31-10-3-4-13-40(31)48(39)44-16-6-5-14-41(44)45/h3-18,20-30,33H,19H2,1-2H3.
What are the key properties of 5-[3-[6-(9,9-dimethylfluoren-2-yl)-2,3-dihydronaphthalen-2-yl]phenyl]benzo[c]phenanthrene?
5-[3-[6-(9,9-dimethylfluoren-2-yl)-2,3-dihydronaphthalen-2-yl]phenyl]benzo[c]phenanthrene has a molecular weight of 624.83 g/mol, XLogP of 11.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[6-(9,9-dimethylfluoren-2-yl)-2,3-dihydronaphthalen-2-yl]phenyl]benzo[c]phenanthrene is sourced from PubChem (CID 123814732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).