CID 144670803

C44H27 — CID 144670803

IUPAC—
SMILESC1=C2[C]1c1ccc(-c3ccc4cc(-c5cccc6c5C5CC5c5ccccc5-6)ccc4c3)c3cccc(c13)-c1ccccc12
InChIInChI=1S/C44H27/c1-3-9-33-31(7-1)37-14-6-12-35-29(19-20-38(44(35)37)41-23-39(33)41)27-17-15-26-22-28(18-16-25(26)21-27)30-11-5-13-36-32-8-2-4-10-34(32)40-24-42(40)43(30)36/h1-23,40,42H,24H2
InChIKeyBASMLBZDPOREIF-UHFFFAOYSA-N
MW555.70 g/mol
LogP11.58
Rot. Bonds2

About CID 144670803

CID 144670803 (PubChem CID 144670803) has the molecular formula C44H27 and a molecular weight of 555.70 g/mol.

Molecular Properties

Compound NameCID 144670803
PubChem CID144670803
Molecular FormulaC44H27
Molecular Weight555.70 g/mol
Exact Mass555.21
IUPAC Name—
SMILESC1=C2[C]1c1ccc(-c3ccc4cc(-c5cccc6c5C5CC5c5ccccc5-6)ccc4c3)c3cccc(c13)-c1ccccc12
InChIInChI=1S/C44H27/c1-3-9-33-31(7-1)37-14-6-12-35-29(19-20-38(44(35)37)41-23-39(33)41)27-17-15-26-22-28(18-16-25(26)21-27)30-11-5-13-36-32-8-2-4-10-34(32)40-24-42(40)43(30)36/h1-23,40,42H,24H2
InChIKeyBASMLBZDPOREIF-UHFFFAOYSA-N
XLogP11.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.70
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(6-phenylnaphthalen-2-yl)fluoranthene
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3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene
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3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene
CID 123939461
3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 166019533
3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 59805129
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene
CID 58544667
3-(2-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)fluoranthene
CID 58323557
19-naphthalen-2-ylhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene
CID 140710714
9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene
CID 123216582
7-(10-phenanthren-9-ylanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
CID 142424653

Frequently Asked Questions

What is the IUPAC name of CID 144670803?
The IUPAC name of CID 144670803 (CID 144670803) is not available.
What is the SMILES notation for CID 144670803?
The canonical SMILES for CID 144670803 is C1=C2[C]1c1ccc(-c3ccc4cc(-c5cccc6c5C5CC5c5ccccc5-6)ccc4c3)c3cccc(c13)-c1ccccc12.
What is the InChIKey of CID 144670803?
The InChIKey is BASMLBZDPOREIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27/c1-3-9-33-31(7-1)37-14-6-12-35-29(19-20-38(44(35)37)41-23-39(33)41)27-17-15-26-22-28(18-16-25(26)21-27)30-11-5-13-36-32-8-2-4-10-34(32)40-24-42(40)43(30)36/h1-23,40,42H,24H2.
What are the key properties of CID 144670803?
CID 144670803 has a molecular weight of 555.70 g/mol, XLogP of 11.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144670803 is sourced from PubChem (CID 144670803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).