2-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylmethyl]-6,9,9-triphenylfluorene

C67H46 — CID 142604775

IUPAC2-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylmethyl]-6,9,9-triphenylfluorene
SMILESc1ccc(-c2ccc3c(c2)-c2ccc(C(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5ccccc45)cc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C67H46/c1-6-21-46(22-7-1)48-39-42-62-60(43-48)58-41-38-50(45-64(58)67(62,53-29-12-4-13-30-53)54-31-14-5-15-32-54)65(59-35-20-24-47-23-16-17-33-55(47)59)49-37-40-57-56-34-18-19-36-61(56)66(63(57)44-49,51-25-8-2-9-26-51)52-27-10-3-11-28-52/h1-45,65H
InChIKeyBYRHDUAKHVEIIM-UHFFFAOYSA-N
MW851.11 g/mol
LogP16.41
Rot. Bonds8

About 2-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylmethyl]-6,9,9-triphenylfluorene

2-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylmethyl]-6,9,9-triphenylfluorene (PubChem CID 142604775) has the molecular formula C67H46 and a molecular weight of 851.11 g/mol. Its IUPAC name is 2-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylmethyl]-6,9,9-triphenylfluorene.

Molecular Properties

Compound Name2-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylmethyl]-6,9,9-triphenylfluorene
PubChem CID142604775
Molecular FormulaC67H46
Molecular Weight851.11 g/mol
Exact Mass850.36
IUPAC Name2-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylmethyl]-6,9,9-triphenylfluorene
SMILESc1ccc(-c2ccc3c(c2)-c2ccc(C(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5ccccc45)cc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C67H46/c1-6-21-46(22-7-1)48-39-42-62-60(43-48)58-41-38-50(45-64(58)67(62,53-29-12-4-13-30-53)54-31-14-5-15-32-54)65(59-35-20-24-47-23-16-17-33-55(47)59)49-37-40-57-56-34-18-19-36-61(56)66(63(57)44-49,51-25-8-2-9-26-51)52-27-10-3-11-28-52/h1-45,65H
InChIKeyBYRHDUAKHVEIIM-UHFFFAOYSA-N
XLogP16.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.11
LogP ≤ 516.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[4-[naphthalen-1-yl-(4-naphthalen-1-ylphenyl)methyl]phenyl]-9-phenyl-9-(3-phenylphenyl)fluorene
CID 176786196
2-[(9,9-dimethylfluoren-3-yl)-naphthalen-2-ylmethyl]-6,9,9-triphenylfluorene
CID 165030326
2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
CID 154591147
3,9,9-triphenylfluorene
CID 140844354
2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
4-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
CID 169295746
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 146247670
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
2-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159194371
1-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-(3-naphthalen-1-ylphenyl)pyrene
CID 170778639
6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran
CID 169295503

Frequently Asked Questions

What is the IUPAC name of 2-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylmethyl]-6,9,9-triphenylfluorene?
The IUPAC name of 2-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylmethyl]-6,9,9-triphenylfluorene (CID 142604775) is 2-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylmethyl]-6,9,9-triphenylfluorene.
What is the SMILES notation for 2-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylmethyl]-6,9,9-triphenylfluorene?
The canonical SMILES for 2-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylmethyl]-6,9,9-triphenylfluorene is c1ccc(-c2ccc3c(c2)-c2ccc(C(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5ccccc45)cc2C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylmethyl]-6,9,9-triphenylfluorene?
The InChIKey is BYRHDUAKHVEIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46/c1-6-21-46(22-7-1)48-39-42-62-60(43-48)58-41-38-50(45-64(58)67(62,53-29-12-4-13-30-53)54-31-14-5-15-32-54)65(59-35-20-24-47-23-16-17-33-55(47)59)49-37-40-57-56-34-18-19-36-61(56)66(63(57)44-49,51-25-8-2-9-26-51)52-27-10-3-11-28-52/h1-45,65H.
What are the key properties of 2-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylmethyl]-6,9,9-triphenylfluorene?
2-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylmethyl]-6,9,9-triphenylfluorene has a molecular weight of 851.11 g/mol, XLogP of 16.41, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylmethyl]-6,9,9-triphenylfluorene is sourced from PubChem (CID 142604775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).