2-naphthalen-1-yl-5-[9-(5-naphthalen-1-yl-1H-pyrrol-2-yl)fluoren-9-yl]-1H-pyrrole

C41H28N2 — CID 102187249

IUPAC2-naphthalen-1-yl-5-[9-(5-naphthalen-1-yl-1H-pyrrol-2-yl)fluoren-9-yl]-1H-pyrrole
SMILESc1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2cccc3ccccc23)[nH]1)c1ccc(-c2cccc3ccccc23)[nH]1
InChIInChI=1S/C41H28N2/c1-3-15-29-27(11-1)13-9-19-33(29)37-23-25-39(42-37)41(35-21-7-5-17-31(35)32-18-6-8-22-36(32)41)40-26-24-38(43-40)34-20-10-14-28-12-2-4-16-30(28)34/h1-26,42-43H
InChIKeyWKMBDMMVKHIKJD-UHFFFAOYSA-N
MW548.69 g/mol
LogP10.35
Rot. Bonds4

About 2-naphthalen-1-yl-5-[9-(5-naphthalen-1-yl-1H-pyrrol-2-yl)fluoren-9-yl]-1H-pyrrole

2-naphthalen-1-yl-5-[9-(5-naphthalen-1-yl-1H-pyrrol-2-yl)fluoren-9-yl]-1H-pyrrole (PubChem CID 102187249) has the molecular formula C41H28N2 and a molecular weight of 548.69 g/mol. Its IUPAC name is 2-naphthalen-1-yl-5-[9-(5-naphthalen-1-yl-1H-pyrrol-2-yl)fluoren-9-yl]-1H-pyrrole.

Molecular Properties

Compound Name2-naphthalen-1-yl-5-[9-(5-naphthalen-1-yl-1H-pyrrol-2-yl)fluoren-9-yl]-1H-pyrrole
PubChem CID102187249
Molecular FormulaC41H28N2
Molecular Weight548.69 g/mol
Exact Mass548.23
IUPAC Name2-naphthalen-1-yl-5-[9-(5-naphthalen-1-yl-1H-pyrrol-2-yl)fluoren-9-yl]-1H-pyrrole
SMILESc1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2cccc3ccccc23)[nH]1)c1ccc(-c2cccc3ccccc23)[nH]1
InChIInChI=1S/C41H28N2/c1-3-15-29-27(11-1)13-9-19-33(29)37-23-25-39(42-37)41(35-21-7-5-17-31(35)32-18-6-8-22-36(32)41)40-26-24-38(43-40)34-20-10-14-28-12-2-4-16-30(28)34/h1-26,42-43H
InChIKeyWKMBDMMVKHIKJD-UHFFFAOYSA-N
XLogP10.35
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 510.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-dinaphthalen-1-ylfluorene
CID 140680296
2-(2-phenoxyphenyl)-5-[9-[5-(2-phenoxyphenyl)-1H-pyrrol-2-yl]fluoren-9-yl]-1H-pyrrole
CID 102187250
CID 140863591
CID 140863591
2,4-dinaphthalen-1-yl-6-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine
CID 167359765
9-(9-phenylfluoren-9-yl)anthracene
CID 174477278
5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]
CID 101471754
2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 154591149
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-9,9-diphenylfluorene;hydroiodide
CID 144939232
CID 146495903
CID 146495903
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 176587539
2,4-dinaphthalen-1-yl-6-[6-(9,9'-spirobi[fluorene]-1'-yl)naphthalen-2-yl]-1,3,5-triazine
CID 146648292

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-5-[9-(5-naphthalen-1-yl-1H-pyrrol-2-yl)fluoren-9-yl]-1H-pyrrole?
The IUPAC name of 2-naphthalen-1-yl-5-[9-(5-naphthalen-1-yl-1H-pyrrol-2-yl)fluoren-9-yl]-1H-pyrrole (CID 102187249) is 2-naphthalen-1-yl-5-[9-(5-naphthalen-1-yl-1H-pyrrol-2-yl)fluoren-9-yl]-1H-pyrrole.
What is the SMILES notation for 2-naphthalen-1-yl-5-[9-(5-naphthalen-1-yl-1H-pyrrol-2-yl)fluoren-9-yl]-1H-pyrrole?
The canonical SMILES for 2-naphthalen-1-yl-5-[9-(5-naphthalen-1-yl-1H-pyrrol-2-yl)fluoren-9-yl]-1H-pyrrole is c1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2cccc3ccccc23)[nH]1)c1ccc(-c2cccc3ccccc23)[nH]1.
What is the InChIKey of 2-naphthalen-1-yl-5-[9-(5-naphthalen-1-yl-1H-pyrrol-2-yl)fluoren-9-yl]-1H-pyrrole?
The InChIKey is WKMBDMMVKHIKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2/c1-3-15-29-27(11-1)13-9-19-33(29)37-23-25-39(42-37)41(35-21-7-5-17-31(35)32-18-6-8-22-36(32)41)40-26-24-38(43-40)34-20-10-14-28-12-2-4-16-30(28)34/h1-26,42-43H.
What are the key properties of 2-naphthalen-1-yl-5-[9-(5-naphthalen-1-yl-1H-pyrrol-2-yl)fluoren-9-yl]-1H-pyrrole?
2-naphthalen-1-yl-5-[9-(5-naphthalen-1-yl-1H-pyrrol-2-yl)fluoren-9-yl]-1H-pyrrole has a molecular weight of 548.69 g/mol, XLogP of 10.35, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-5-[9-(5-naphthalen-1-yl-1H-pyrrol-2-yl)fluoren-9-yl]-1H-pyrrole is sourced from PubChem (CID 102187249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).