1-naphthalen-1-yl-11H-benzo[a]fluorene

C27H18 — CID 157136460

IUPAC1-naphthalen-1-yl-11H-benzo[a]fluorene
SMILESc1ccc2c(c1)Cc1c-2ccc2cccc(-c3cccc4ccccc34)c12
InChIInChI=1S/C27H18/c1-3-11-21-18(7-1)9-5-13-23(21)25-14-6-10-19-15-16-24-22-12-4-2-8-20(22)17-26(24)27(19)25/h1-16H,17H2
InChIKeyKKTRULBLFCGALF-UHFFFAOYSA-N
MW342.44 g/mol
LogP7.23
Rot. Bonds1

About 1-naphthalen-1-yl-11H-benzo[a]fluorene

1-naphthalen-1-yl-11H-benzo[a]fluorene (PubChem CID 157136460) has the molecular formula C27H18 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-naphthalen-1-yl-11H-benzo[a]fluorene.

Molecular Properties

Compound Name1-naphthalen-1-yl-11H-benzo[a]fluorene
PubChem CID157136460
Molecular FormulaC27H18
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC Name1-naphthalen-1-yl-11H-benzo[a]fluorene
SMILESc1ccc2c(c1)Cc1c-2ccc2cccc(-c3cccc4ccccc34)c12
InChIInChI=1S/C27H18/c1-3-11-21-18(7-1)9-5-13-23(21)25-14-6-10-19-15-16-24-22-12-4-2-8-20(22)17-26(24)27(19)25/h1-16H,17H2
InChIKeyKKTRULBLFCGALF-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene
CID 160943205
heptacyclo[14.11.1.02,14.05,13.06,11.017,22.024,28]octacosa-1(27),2(14),3,5(13),6,8,10,16(28),17,19,21,23,25-tridecaene
CID 159466514
5-naphthalen-1-yl-11H-benzo[a]fluorene
CID 161363694
19-[3-(3,5-diphenylphenyl)phenyl]pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 123937708
decacyclo[18.18.0.02,18.05,17.06,15.09,14.022,37.023,35.025,33.027,32]octatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21,23(35),24,27,29,31,33,37-heptadecaene
CID 160943203
1-(9H-fluoren-1-yl)-9H-fluorene
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1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
1-naphthalen-1-yl-9H-xanthene
CID 90993396
11H-benzo[a]fluorene;indeno[2,1-a]fluorene
CID 161215965
9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene
CID 58194513
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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-11H-benzo[a]fluorene?
The IUPAC name of 1-naphthalen-1-yl-11H-benzo[a]fluorene (CID 157136460) is 1-naphthalen-1-yl-11H-benzo[a]fluorene.
What is the SMILES notation for 1-naphthalen-1-yl-11H-benzo[a]fluorene?
The canonical SMILES for 1-naphthalen-1-yl-11H-benzo[a]fluorene is c1ccc2c(c1)Cc1c-2ccc2cccc(-c3cccc4ccccc34)c12.
What is the InChIKey of 1-naphthalen-1-yl-11H-benzo[a]fluorene?
The InChIKey is KKTRULBLFCGALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18/c1-3-11-21-18(7-1)9-5-13-23(21)25-14-6-10-19-15-16-24-22-12-4-2-8-20(22)17-26(24)27(19)25/h1-16H,17H2.
What are the key properties of 1-naphthalen-1-yl-11H-benzo[a]fluorene?
1-naphthalen-1-yl-11H-benzo[a]fluorene has a molecular weight of 342.44 g/mol, XLogP of 7.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-11H-benzo[a]fluorene is sourced from PubChem (CID 157136460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).