2,9,9-trinaphthalen-2-ylfluorene

C43H28 — CID 144772576

IUPAC2,9,9-trinaphthalen-2-ylfluorene
SMILESc1ccc2c(c1)-c1ccc(-c3ccc4ccccc4c3)cc1C2(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C43H28/c1-4-12-32-25-35(18-17-29(32)9-1)36-21-24-40-39-15-7-8-16-41(39)43(42(40)28-36,37-22-19-30-10-2-5-13-33(30)26-37)38-23-20-31-11-3-6-14-34(31)27-38/h1-28H
InChIKeyARQVGWZNDRMUIK-UHFFFAOYSA-N
MW544.70 g/mol
LogP11.18
Rot. Bonds3

About 2,9,9-trinaphthalen-2-ylfluorene

2,9,9-trinaphthalen-2-ylfluorene (PubChem CID 144772576) has the molecular formula C43H28 and a molecular weight of 544.70 g/mol. Its IUPAC name is 2,9,9-trinaphthalen-2-ylfluorene.

Molecular Properties

Compound Name2,9,9-trinaphthalen-2-ylfluorene
PubChem CID144772576
Molecular FormulaC43H28
Molecular Weight544.70 g/mol
Exact Mass544.22
IUPAC Name2,9,9-trinaphthalen-2-ylfluorene
SMILESc1ccc2c(c1)-c1ccc(-c3ccc4ccccc4c3)cc1C2(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C43H28/c1-4-12-32-25-35(18-17-29(32)9-1)36-21-24-40-39-15-7-8-16-41(39)43(42(40)28-36,37-22-19-30-10-2-5-13-33(30)26-37)38-23-20-31-11-3-6-14-34(31)27-38/h1-28H
InChIKeyARQVGWZNDRMUIK-UHFFFAOYSA-N
XLogP11.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.70
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-dinaphthalen-2-yl-2,7-bis(4-phenylphenyl)fluorene
CID 144772685
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 140710700
2-(9-anthracen-2-ylfluoren-9-yl)anthracene
CID 162705610
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol
CID 171457359
9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
CID 58894843
3-[4-[9-[4-(3-hydroxypropoxy)phenyl]-2-naphthalen-2-ylfluoren-9-yl]phenoxy]propan-1-ol
CID 171457350
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566152
9-[3-(3-chlorophenyl)phenyl]-9-naphthalen-2-ylfluorene
CID 169292933
11-(6,7-dimethylnaphthalen-2-yl)-11-[4-[4-[9-(6,7-dimethylnaphthalen-2-yl)fluoren-9-yl]phenyl]phenyl]benzo[b]fluorene
CID 164808737
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene]
CID 58251701
N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 177113841

Frequently Asked Questions

What is the IUPAC name of 2,9,9-trinaphthalen-2-ylfluorene?
The IUPAC name of 2,9,9-trinaphthalen-2-ylfluorene (CID 144772576) is 2,9,9-trinaphthalen-2-ylfluorene.
What is the SMILES notation for 2,9,9-trinaphthalen-2-ylfluorene?
The canonical SMILES for 2,9,9-trinaphthalen-2-ylfluorene is c1ccc2c(c1)-c1ccc(-c3ccc4ccccc4c3)cc1C2(c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 2,9,9-trinaphthalen-2-ylfluorene?
The InChIKey is ARQVGWZNDRMUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28/c1-4-12-32-25-35(18-17-29(32)9-1)36-21-24-40-39-15-7-8-16-41(39)43(42(40)28-36,37-22-19-30-10-2-5-13-33(30)26-37)38-23-20-31-11-3-6-14-34(31)27-38/h1-28H.
What are the key properties of 2,9,9-trinaphthalen-2-ylfluorene?
2,9,9-trinaphthalen-2-ylfluorene has a molecular weight of 544.70 g/mol, XLogP of 11.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9,9-trinaphthalen-2-ylfluorene is sourced from PubChem (CID 144772576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).