9,9-dinaphthalen-1-ylfluorene

C33H22 — CID 140680296

IUPAC9,9-dinaphthalen-1-ylfluorene
SMILESc1ccc2c(c1)-c1ccccc1C2(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C33H22/c1-3-15-25-23(11-1)13-9-21-29(25)33(30-22-10-14-24-12-2-4-16-26(24)30)31-19-7-5-17-27(31)28-18-6-8-20-32(28)33/h1-22H
InChIKeyYJXGIKFFRTZEMW-UHFFFAOYSA-N
MW418.54 g/mol
LogP8.36
Rot. Bonds2

About 9,9-dinaphthalen-1-ylfluorene

9,9-dinaphthalen-1-ylfluorene (PubChem CID 140680296) has the molecular formula C33H22 and a molecular weight of 418.54 g/mol. Its IUPAC name is 9,9-dinaphthalen-1-ylfluorene.

Molecular Properties

Compound Name9,9-dinaphthalen-1-ylfluorene
PubChem CID140680296
Molecular FormulaC33H22
Molecular Weight418.54 g/mol
Exact Mass418.17
IUPAC Name9,9-dinaphthalen-1-ylfluorene
SMILESc1ccc2c(c1)-c1ccccc1C2(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C33H22/c1-3-15-25-23(11-1)13-9-21-29(25)33(30-22-10-14-24-12-2-4-16-26(24)30)31-19-7-5-17-27(31)28-18-6-8-20-32(28)33/h1-22H
InChIKeyYJXGIKFFRTZEMW-UHFFFAOYSA-N
XLogP8.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 140863591
CID 140863591
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]
CID 126729461
2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 154591149
5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]
CID 101471754
CID 140863592
CID 140863592
9-(9-phenylfluoren-9-yl)anthracene
CID 174477278
2-naphthalen-1-ylspiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]
CID 140873354
2-naphthalen-1-yl-5-[9-(5-naphthalen-1-yl-1H-pyrrol-2-yl)fluoren-9-yl]-1H-pyrrole
CID 102187249
spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185
2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]
CID 130452820
9,9-dinaphthalen-1-yl-N,N-bis(4-naphthalen-1-ylphenyl)fluoren-4-amine
CID 169019816

Frequently Asked Questions

What is the IUPAC name of 9,9-dinaphthalen-1-ylfluorene?
The IUPAC name of 9,9-dinaphthalen-1-ylfluorene (CID 140680296) is 9,9-dinaphthalen-1-ylfluorene.
What is the SMILES notation for 9,9-dinaphthalen-1-ylfluorene?
The canonical SMILES for 9,9-dinaphthalen-1-ylfluorene is c1ccc2c(c1)-c1ccccc1C2(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of 9,9-dinaphthalen-1-ylfluorene?
The InChIKey is YJXGIKFFRTZEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22/c1-3-15-25-23(11-1)13-9-21-29(25)33(30-22-10-14-24-12-2-4-16-26(24)30)31-19-7-5-17-27(31)28-18-6-8-20-32(28)33/h1-22H.
What are the key properties of 9,9-dinaphthalen-1-ylfluorene?
9,9-dinaphthalen-1-ylfluorene has a molecular weight of 418.54 g/mol, XLogP of 8.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dinaphthalen-1-ylfluorene is sourced from PubChem (CID 140680296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).