3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene

C74H52 — CID 123377158

IUPAC3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5)ccc3-4)cc21
InChIInChI=1S/C74H52/c1-73(2)68-41-52(47-21-19-45(20-22-47)46-23-27-50(28-24-46)57-16-9-12-49-11-5-6-13-56(49)57)31-35-61(68)63-37-33-54(43-70(63)73)55-34-38-64-62-36-32-53(42-69(62)74(3,4)71(64)44-55)48-25-29-51(30-26-48)58-39-40-67-60-15-8-7-14-59(60)66-18-10-17-65(58)72(66)67/h5-44H,1-4H3
InChIKeyBTXLGTDHWYKETM-UHFFFAOYSA-N
MW941.23 g/mol
LogP20.25
Rot. Bonds6

About 3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene

3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene (PubChem CID 123377158) has the molecular formula C74H52 and a molecular weight of 941.23 g/mol. Its IUPAC name is 3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene.

Molecular Properties

Compound Name3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene
PubChem CID123377158
Molecular FormulaC74H52
Molecular Weight941.23 g/mol
Exact Mass940.41
IUPAC Name3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5)ccc3-4)cc21
InChIInChI=1S/C74H52/c1-73(2)68-41-52(47-21-19-45(20-22-47)46-23-27-50(28-24-46)57-16-9-12-49-11-5-6-13-56(49)57)31-35-61(68)63-37-33-54(43-70(63)73)55-34-38-64-62-36-32-53(42-69(62)74(3,4)71(64)44-55)48-25-29-51(30-26-48)58-39-40-67-60-15-8-7-14-59(60)66-18-10-17-65(58)72(66)67/h5-44H,1-4H3
InChIKeyBTXLGTDHWYKETM-UHFFFAOYSA-N
XLogP20.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.23
LogP ≤ 520.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569433
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
3-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]fluoranthene
CID 123322514
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-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
CID 58569073
3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene
CID 58569056
3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene
CID 166019404
3-[3-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569543
3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
CID 58569600
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 3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene?
The IUPAC name of 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) is 3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene.
What is the SMILES notation for 3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene?
The canonical SMILES for 3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene is CC1(C)c2cc(-c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5)ccc3-4)cc21.
What is the InChIKey of 3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene?
The InChIKey is BTXLGTDHWYKETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H52/c1-73(2)68-41-52(47-21-19-45(20-22-47)46-23-27-50(28-24-46)57-16-9-12-49-11-5-6-13-56(49)57)31-35-61(68)63-37-33-54(43-70(63)73)55-34-38-64-62-36-32-53(42-69(62)74(3,4)71(64)44-55)48-25-29-51(30-26-48)58-39-40-67-60-15-8-7-14-59(60)66-18-10-17-65(58)72(66)67/h5-44H,1-4H3.
What are the key properties of 3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene?
3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene has a molecular weight of 941.23 g/mol, XLogP of 20.25, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene is sourced from PubChem (CID 123377158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).