2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene

C68H50 — CID 123969680

IUPAC2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc3-4)cc21
InChIInChI=1S/C68H50/c1-67(2)63-39-51(45-21-19-43(20-22-45)44-23-27-49(28-24-44)57-17-9-13-47-11-5-7-15-55(47)57)31-35-59(63)61-37-33-53(41-65(61)67)54-34-38-62-60-36-32-52(40-64(60)68(3,4)66(62)42-54)46-25-29-50(30-26-46)58-18-10-14-48-12-6-8-16-56(48)58/h5-42H,1-4H3
InChIKeyQOGRQQKBVKETJI-UHFFFAOYSA-N
MW867.15 g/mol
LogP18.61
Rot. Bonds6

About 2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene

2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene (PubChem CID 123969680) has the molecular formula C68H50 and a molecular weight of 867.15 g/mol. Its IUPAC name is 2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene.

Molecular Properties

Compound Name2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
PubChem CID123969680
Molecular FormulaC68H50
Molecular Weight867.15 g/mol
Exact Mass866.39
IUPAC Name2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc3-4)cc21
InChIInChI=1S/C68H50/c1-67(2)63-39-51(45-21-19-43(20-22-45)44-23-27-49(28-24-44)57-17-9-13-47-11-5-7-15-55(47)57)31-35-59(63)61-37-33-53(41-65(61)67)54-34-38-62-60-36-32-52(40-64(60)68(3,4)66(62)42-54)46-25-29-50(30-26-46)58-18-10-14-48-12-6-8-16-56(48)58/h5-42H,1-4H3
InChIKeyQOGRQQKBVKETJI-UHFFFAOYSA-N
XLogP18.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.15
LogP ≤ 518.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 58881057
2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene
CID 123907813
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene
CID 123377158
3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569433
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(4-phenylphenyl)fluoren-2-amine
CID 118428459
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
2-[7-[4-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine
CID 58880915
9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 121321735
2-(9,9-dimethylfluoren-2-yl)-7-[7-[9,9-dimethyl-7-(2-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58881021
N-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500337
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene
CID 58569211

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene?
The IUPAC name of 2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene (CID 123969680) is 2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene.
What is the SMILES notation for 2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene?
The canonical SMILES for 2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene is CC1(C)c2cc(-c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc3-4)cc21.
What is the InChIKey of 2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene?
The InChIKey is QOGRQQKBVKETJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H50/c1-67(2)63-39-51(45-21-19-43(20-22-45)44-23-27-49(28-24-44)57-17-9-13-47-11-5-7-15-55(47)57)31-35-59(63)61-37-33-53(41-65(61)67)54-34-38-62-60-36-32-52(40-64(60)68(3,4)66(62)42-54)46-25-29-50(30-26-46)58-18-10-14-48-12-6-8-16-56(48)58/h5-42H,1-4H3.
What are the key properties of 2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene?
2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene has a molecular weight of 867.15 g/mol, XLogP of 18.61, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene is sourced from PubChem (CID 123969680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).