9-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenanthrene

C45H36 — CID 143227241

IUPAC9-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenanthrene
SMILESCc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6ccccc6c6ccccc56)ccc3-4)ccc1-2
InChIInChI=1S/C45H36/c1-27-14-18-35-36-19-15-28(24-41(36)44(2,3)40(35)22-27)29-16-20-37-38-21-17-31(26-43(38)45(4,5)42(37)25-29)39-23-30-10-6-7-11-32(30)33-12-8-9-13-34(33)39/h6-26H,1-5H3
InChIKeyTVNJEARJEYSSIC-UHFFFAOYSA-N
MW576.78 g/mol
LogP12.25
Rot. Bonds2

About 9-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenanthrene

9-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenanthrene (PubChem CID 143227241) has the molecular formula C45H36 and a molecular weight of 576.78 g/mol. Its IUPAC name is 9-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenanthrene.

Molecular Properties

Compound Name9-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenanthrene
PubChem CID143227241
Molecular FormulaC45H36
Molecular Weight576.78 g/mol
Exact Mass576.28
IUPAC Name9-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenanthrene
SMILESCc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6ccccc6c6ccccc56)ccc3-4)ccc1-2
InChIInChI=1S/C45H36/c1-27-14-18-35-36-19-15-28(24-41(36)44(2,3)40(35)22-27)29-16-20-37-38-21-17-31(26-43(38)45(4,5)42(37)25-29)39-23-30-10-6-7-11-32(30)33-12-8-9-13-34(33)39/h6-26H,1-5H3
InChIKeyTVNJEARJEYSSIC-UHFFFAOYSA-N
XLogP12.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.78
LogP ≤ 512.25
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

9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene
CID 58883838
9-[3-[9,9-dimethyl-7-(3-phenanthren-9-ylphenyl)fluoren-2-yl]phenyl]phenanthrene
CID 58881017
9-[7-[9,9-dimethyl-7-(7-phenanthren-9-ylnaphthalen-2-yl)fluoren-2-yl]naphthalen-2-yl]phenanthrene
CID 58569088
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene
CID 58569211
6-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]chrysene
CID 58569084
9-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]phenanthrene
CID 58569461
9-[7-(7-anthracen-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracene
CID 58905940
3-[3-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569543
N-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 58050464
9-[6-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-2-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 58569125
3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
CID 58569600
9-[2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 58569156

Frequently Asked Questions

What is the IUPAC name of 9-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenanthrene?
The IUPAC name of 9-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenanthrene (CID 143227241) is 9-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenanthrene.
What is the SMILES notation for 9-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenanthrene?
The canonical SMILES for 9-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenanthrene is Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6ccccc6c6ccccc56)ccc3-4)ccc1-2.
What is the InChIKey of 9-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenanthrene?
The InChIKey is TVNJEARJEYSSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36/c1-27-14-18-35-36-19-15-28(24-41(36)44(2,3)40(35)22-27)29-16-20-37-38-21-17-31(26-43(38)45(4,5)42(37)25-29)39-23-30-10-6-7-11-32(30)33-12-8-9-13-34(33)39/h6-26H,1-5H3.
What are the key properties of 9-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenanthrene?
9-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenanthrene has a molecular weight of 576.78 g/mol, XLogP of 12.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenanthrene is sourced from PubChem (CID 143227241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).